2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-(4-benzyloxyphenyl)acetamide CAS Name: 2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)acetamide Formula: C32H31N5O4 MolecularWeight: 549.61964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C32H31N5O4/c38-28(34-25-15-17-27(18-16-25)41-21-24-11-5-2-6-12-24)20-36-31(39)29-30(33-22-37(29)26-13-7-8-14-26)35(32(36)40)19-23-9-3-1-4-10-23/h1-6,9-12,15-18,22,26H,7-8,13-14,19-21H2,(H,34,38)