9-(4-ethoxyphenyl)-8-oxidanylidene-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide

Systemtic Name: 9-(4-ethoxyphenyl)-8-oxidanylidene-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Openeye Name: 9-(4-ethoxyphenyl)-8-oxo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide CAS Name: 9-(4-ethoxyphenyl)-8-oxo-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,7-dihydropurine-6-carboxamide IUPAC Name: 9-(4-ethoxyphenyl)-8-oxo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Traditional Name: 8-keto-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-9-p-phenetyl-1,7-dihydropurine-6-carboxamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=NC(=C4C=CC(=O)C=C4)NC(=C3NC2=O)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=NC(=C4C=CC(=O)C=C4)NC(=C3NC2=O)C(=O)N

InChI

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