9-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-8-keto-7H-purine-6-carboxamide Formula: C20H16ClN5O4 MolecularWeight: 425.82514

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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)OC

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)OC

InChI

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