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MKC : Summary
Code
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MKC
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One-letter code
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X
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Molecule name
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6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL
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Systematic names
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Formula
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C17 H22 N2 O3
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Formal charge
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0
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Molecular weight
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302.368 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1C(=C(N(C(=O)N1)COCC)Cc2ccccc2)C(C)C |
SMILES
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CACTVS |
3.341 |
CCOCN1C(=O)NC(=O)C(=C1Cc2ccccc2)C(C)C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2 |
Canonical SMILES
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CACTVS |
3.341 |
CCOCN1C(=O)NC(=O)C(=C1Cc2ccccc2)C(C)C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2 |
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IUPAC InChI | InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21) |
IUPAC InChI key | MLILORUFDVLTSP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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44 (22 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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1999-07-08
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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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