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

Systemtic Name: 9-(3,4-dimethylphenyl)-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-2-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-8-keto-2-(4-keto-3-methoxy-cyclohexa-2,5-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(=O)C(=C4)OC)NC(=C3NC2=O)C(=O)N)C

Isomeric SMILES

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

InChI

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