7-butyl-2-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one

Systemtic Name: 7-butyl-2-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one Openeye Name: 7-butyl-2-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one CAS Name: 7-butyl-2-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-purin-6-one IUPAC Name: 7-butyl-2-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one Traditional Name: 7-butyl-2-(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)NC(=C3C=C(C(=O)C(=C3)C)C)N2

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)NC(=C3C=C(C(=O)C(=C3)C)C)N2

InChI

InChI=1S/C17H20N4O2/c1-4-5-6-21-9-18-16-13(21)17(23)20-15(19-16)12-7-10(2)14(22)11(3)8-12/h7-9,19H,4-6H2,1-3H3,(H,20,23)