(2Z)-9-(2-ethoxyphenyl)-8-oxidanylidene-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide

Systemtic Name: (2Z)-9-(2-ethoxyphenyl)-8-oxidanylidene-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Openeye Name: (2Z)-9-(2-ethoxyphenyl)-8-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide CAS Name: (2Z)-9-(2-ethoxyphenyl)-8-oxo-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,7-dihydropurine-6-carboxamide IUPAC Name: (2Z)-9-(2-ethoxyphenyl)-8-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Traditional Name: (2Z)-8-keto-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-9-o-phenetyl-1,7-dihydropurine-6-carboxamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=NC(=C4C=CC=CC4=O)NC(=C3NC2=O)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=N/C(=C\4/C=CC=CC4=O)/NC(=C3NC2=O)C(=O)N

InChI

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