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

Systemtic Name: (2E)-9-(3-chlorophenyl)-2-(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2E)-9-(3-chlorophenyl)-2-(5-ethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2E)-9-(3-chlorophenyl)-2-(5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2E)-9-(3-chlorophenyl)-2-(5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2E)-9-(3-chlorophenyl)-2-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-8-keto-1,7-dihydropurine-6-carboxamide Formula: C20H16ClN5O4 MolecularWeight: 425.82514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O4/c1-2-30-13-8-4-7-12(16(13)27)18-23-14(17(22)28)15-19(25-18)26(20(29)24-15)11-6-3-5-10(21)9-11/h3-9,23H,2H2,1H3,(H2,22,28)(H,24,29)/b18-12+