8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(3-chlorophenyl)piperazino]-3-methyl-7-[2-(phenylthio)ethyl]xanthine Formula: C24H25ClN6O2S MolecularWeight: 497.0123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCSC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCSC5=CC=CC=C5

InChI

InChI=1S/C24H25ClN6O2S/c1-28-21-20(22(32)27-24(28)33)31(14-15-34-19-8-3-2-4-9-19)23(26-21)30-12-10-29(11-13-30)18-7-5-6-17(25)16-18/h2-9,16H,10-15H2,1H3,(H,27,32,33)