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

Systemtic Name: (2E)-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-9-(3-methylphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2E)-2-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-9-(m-tolyl)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2E)-2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-9-(3-methylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2E)-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-9-(3-methylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2E)-8-keto-2-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-9-(m-tolyl)-1,7-dihydropurine-6-carboxamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O4/c1-10-4-3-5-12(8-10)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)11-6-7-13(26)14(9-11)29-2/h3-9,22H,1-2H3,(H2,21,27)(H,23,28)/b18-11+