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

Systemtic Name: 7-cyclopentyl-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl]xanthine Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3S/c1-16-12-20(17(2)33-16)21(30)14-28-24(31)22-23(26-15-29(22)19-10-6-7-11-19)27(25(28)32)13-18-8-4-3-5-9-18/h3-5,8-9,12,15,19H,6-7,10-11,13-14H2,1-2H3