8-[(2S)-butan-2-yl]sulfanyl-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(2S)-butan-2-yl]sulfanyl-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(1S)-1-methylpropyl]sulfanyl-purine-2,6-dione CAS Name: 8-[[(2S)-butan-2-yl]thio]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[(2S)-butan-2-yl]sulfanyl-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-[[(1S)-1-methylpropyl]thio]xanthine Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CC[C@H](C)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H19ClN4O2S/c1-4-10(2)25-17-19-14-13(15(23)20-16(24)21(14)3)22(17)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,20,23,24)/t10-/m0/s1