9-(4-chlorophenyl)-2-(4-methoxy-3-oxidanyl-phenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(4-chlorophenyl)-2-(4-methoxy-3-oxidanyl-phenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-chlorophenyl)-2-(3-hydroxy-4-methoxy-phenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-chlorophenyl)-2-(3-hydroxy-4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-chlorophenyl)-2-(3-hydroxy-4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-chlorophenyl)-2-(3-hydroxy-4-methoxy-phenyl)-8-keto-7H-purine-6-carboxamide Formula: C19H14ClN5O4 MolecularWeight: 411.79856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)N)O

InChI

InChI=1S/C19H14ClN5O4/c1-29-13-7-2-9(8-12(13)26)17-22-14(16(21)27)15-18(24-17)25(19(28)23-15)11-5-3-10(20)4-6-11/h2-8,26H,1H3,(H2,21,27)(H,23,28)