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CP6 : Summary
Code
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CP6
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One-letter code
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X
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Molecule name
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5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE
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Synonyms
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PYRIMETHAMINE
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Systematic names
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Formula
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C12 H13 Cl N4
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Formal charge
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0
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Molecular weight
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248.711 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc2ccc(c1c(nc(nc1CC)N)N)cc2 |
SMILES
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CACTVS |
3.341 |
CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl |
Canonical SMILES
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CACTVS |
3.341 |
CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl |
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IUPAC InChI | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
IUPAC InChI key | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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30 (17 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2003-02-07
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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