4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-phenylmethoxyphenyl)butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-phenylmethoxyphenyl)butanamide Openeye Name: N-(4-benzyloxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-phenylmethoxyphenyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylmethoxyphenyl)butanamide Traditional Name: N-(4-benzoxyphenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O4/c1-27-22-21(23(31)28(2)24(27)32)29(16-25-22)14-6-9-20(30)26-18-10-12-19(13-11-18)33-15-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,26,30)