2-(4-methoxyphenyl)-8-oxidanylidene-9-(phenylmethyl)-7H-purine-6-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-8-oxidanylidene-9-(phenylmethyl)-7H-purine-6-carboxamide Openeye Name: 9-benzyl-2-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(4-methoxyphenyl)-8-oxo-9-(phenylmethyl)-7H-purine-6-carboxamide IUPAC Name: 9-benzyl-2-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-benzyl-8-keto-2-(4-methoxyphenyl)-7H-purine-6-carboxamide Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C20H17N5O3/c1-28-14-9-7-13(8-10-14)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,21,26)(H,23,27)