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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

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