7-[2-(cyclohexen-1-yl)ethyl]-3-(phenylmethyl)-8-thiophen-3-yl-purine-2,6-dione

Systemtic Name: 7-[2-(cyclohexen-1-yl)ethyl]-3-(phenylmethyl)-8-thiophen-3-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-[2-(cyclohexen-1-yl)ethyl]-8-(3-thienyl)purine-2,6-dione CAS Name: 7-[2-(1-cyclohexenyl)ethyl]-3-(phenylmethyl)-8-(3-thiophenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-[2-(cyclohexen-1-yl)ethyl]-8-thiophen-3-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-[2-(cyclohexen-1-yl)ethyl]-8-(3-thienyl)xanthine Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C3=C(N=C2C4=CSC=C4)N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(=CC1)CCN2C3=C(N=C2C4=CSC=C4)N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N4O2S/c29-23-20-22(28(24(30)26-23)15-18-9-5-2-6-10-18)25-21(19-12-14-31-16-19)27(20)13-11-17-7-3-1-4-8-17/h2,5-7,9-10,12,14,16H,1,3-4,8,11,13,15H2,(H,26,29,30)