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

Systemtic Name: 2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-(2-thienylmethyl)acetamide CAS Name: 2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-(2-thenyl)acetamide Formula: C24H25N5O3S MolecularWeight: 463.552

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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)NCC5=CC=CS5

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NCC5=CC=CS5

InChI

InChI=1S/C24H25N5O3S/c30-20(25-13-19-11-6-12-33-19)15-28-23(31)21-22(26-16-29(21)18-9-4-5-10-18)27(24(28)32)14-17-7-2-1-3-8-17/h1-3,6-8,11-12,16,18H,4-5,9-10,13-15H2,(H,25,30)