7-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[3-[(4-chlorophenyl)thio]-2-methylpropyl]-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenyl)sulfanyl-2-methylpropyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[3-[(4-chlorophenyl)thio]-2-methyl-propyl]-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C26H29ClN6O2S MolecularWeight: 525.06546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H29ClN6O2S/c1-18(17-36-21-10-8-19(27)9-11-21)16-33-22-23(30(2)26(35)29-24(22)34)28-25(33)32-14-12-31(13-15-32)20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,29,34,35)