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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-phenylmethoxyphenyl)methyl]butanamide Openeye Name: N-[(4-benzyloxyphenyl)methyl]-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)methyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-phenylmethoxyphenyl)methyl]butanamide Traditional Name: N-(4-benzoxybenzyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O4/c1-28-23-22(24(32)29(2)25(28)33)30(17-27-23)14-6-9-21(31)26-15-18-10-12-20(13-11-18)34-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,17H,6,9,14-16H2,1-2H3,(H,26,31)