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H35 : Summary
Code
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H35
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One-letter code
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X
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Molecule name
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N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE
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Systematic names
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Formula
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C10 H9 N5 O
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Formal charge
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0
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Molecular weight
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215.211 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n2c(NCc1occc1)c3ncnc3nc2 |
SMILES
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CACTVS |
3.341 |
C(Nc1ncnc2nc[nH]c12)c3occc3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(oc1)CNc2c3c(nc[nH]3)ncn2 |
Canonical SMILES
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CACTVS |
3.341 |
C(Nc1ncnc2nc[nH]c12)c3occc3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(oc1)CNc2c3c(nc[nH]3)ncn2 |
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IUPAC InChI | InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) |
IUPAC InChI key | QANMHLXAZMSUEX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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25 (16 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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2007-04-02
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Last modified at
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2011-06-04
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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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