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

Systemtic Name: 2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-methyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-methyl-N-(2-thenyl)acetamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O3S/c1-27(15-20-12-7-13-34-20)21(31)16-29-24(32)22-23(26-17-30(22)19-10-5-6-11-19)28(25(29)33)14-18-8-3-2-4-9-18/h2-4,7-9,12-13,17,19H,5-6,10-11,14-16H2,1H3