7-cyclopentyl-1-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(5-methyl-2-thiophenyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-keto-2-(5-methyl-2-thienyl)ethyl]xanthine Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(S1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N4O3S/c1-16-11-12-20(32-16)19(29)14-27-23(30)21-22(25-15-28(21)18-9-5-6-10-18)26(24(27)31)13-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14H2,1H3