9-(3-methoxyphenyl)-7-methyl-8-oxidanylidene-2-(4-phenylmethoxyphenyl)purine-6-carboxamide

Systemtic Name: 9-(3-methoxyphenyl)-7-methyl-8-oxidanylidene-2-(4-phenylmethoxyphenyl)purine-6-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxo-purine-6-carboxamide CAS Name: 9-(3-methoxyphenyl)-7-methyl-8-oxo-2-(4-phenylmethoxyphenyl)-6-purinecarboxamide IUPAC Name: 9-(3-methoxyphenyl)-7-methyl-8-oxo-2-(4-phenylmethoxyphenyl)purine-6-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-8-keto-9-(3-methoxyphenyl)-7-methyl-purine-6-carboxamide Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C(N=C2N(C1=O)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N

Isomeric SMILES

CN1C2=C(N=C(N=C2N(C1=O)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C27H23N5O4/c1-31-23-22(24(28)33)29-25(18-11-13-20(14-12-18)36-16-17-7-4-3-5-8-17)30-26(23)32(27(31)34)19-9-6-10-21(15-19)35-2/h3-15H,16H2,1-2H3,(H2,28,33)