8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1,3-dimethyl-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazino]-1,3-dimethyl-7-[2-(phenylthio)ethyl]xanthine Formula: C26H29ClN6O2S MolecularWeight: 525.06546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3CCSC5=CC=CC=C5)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3CCSC5=CC=CC=C5)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C26H29ClN6O2S/c1-18-9-10-19(27)17-21(18)31-11-13-32(14-12-31)25-28-23-22(24(34)30(3)26(35)29(23)2)33(25)15-16-36-20-7-5-4-6-8-20/h4-10,17H,11-16H2,1-3H3