(2Z)-9-(3,4-dimethylphenyl)-2-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide

Systemtic Name: (2Z)-9-(3,4-dimethylphenyl)-2-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2Z)-9-(3,4-dimethylphenyl)-2-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2Z)-9-(3,4-dimethylphenyl)-2-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2Z)-9-(3,4-dimethylphenyl)-2-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2Z)-9-(3,4-dimethylphenyl)-8-keto-2-(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=C4C=CC=C(C4=O)OC)NC(=C3NC2=O)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=N/C(=C\4/C=CC=C(C4=O)OC)/NC(=C3NC2=O)C(=O)N)C

InChI

InChI=1S/C21H19N5O4/c1-10-7-8-12(9-11(10)2)26-20-16(24-21(26)29)15(18(22)28)23-19(25-20)13-5-4-6-14(30-3)17(13)27/h4-9,23H,1-3H3,(H2,22,28)(H,24,29)/b19-13-