2-(3H-benzimidazol-5-yl)-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(3H-benzimidazol-5-yl)-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(3H-benzimidazol-5-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(3H-benzimidazol-5-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(3H-benzimidazol-5-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(3H-benzimidazol-5-yl)-8-keto-9-(2-methoxyphenyl)-7H-purine-6-carboxamide Formula: C20H15N7O3 MolecularWeight: 401.3782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C20H15N7O3/c1-30-14-5-3-2-4-13(14)27-19-16(25-20(27)29)15(17(21)28)24-18(26-19)10-6-7-11-12(8-10)23-9-22-11/h2-9H,1H3,(H2,21,28)(H,22,23)(H,25,29)