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

Systemtic Name: 9-(3,4-dimethylphenyl)-2-(4-methoxy-3-oxidanyl-phenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methoxy-phenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methoxy-phenyl)-8-keto-7H-purine-6-carboxamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=C(C=C4)OC)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=C(C=C4)OC)O)C

InChI

InChI=1S/C21H19N5O4/c1-10-4-6-13(8-11(10)2)26-20-17(24-21(26)29)16(18(22)28)23-19(25-20)12-5-7-15(30-3)14(27)9-12/h4-9,27H,1-3H3,(H2,22,28)(H,24,29)