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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC(=C4)C)C(=O)N)C1=O

Isomeric SMILES

CCOC1=CC=C/C(=C\2/NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC(=C4)C)C(=O)N)/C1=O

InChI

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