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

Systemtic Name: (2E)-9-(3-chlorophenyl)-8-oxidanylidene-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Openeye Name: (2E)-9-(3-chlorophenyl)-8-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide CAS Name: (2E)-9-(3-chlorophenyl)-8-oxo-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,7-dihydropurine-6-carboxamide IUPAC Name: (2E)-9-(3-chlorophenyl)-8-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Traditional Name: (2E)-9-(3-chlorophenyl)-8-keto-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Formula: C18H12ClN5O3 MolecularWeight: 381.77258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O3/c19-9-4-3-5-10(8-9)24-17-14(22-18(24)27)13(15(20)26)21-16(23-17)11-6-1-2-7-12(11)25/h1-8,21H,(H2,20,26)(H,22,27)/b16-11+