7-[(2-chlorophenyl)methyl]-3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(1R)-1-methyl-2-oxo-propyl]sulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[[(2R)-3-oxobutan-2-yl]thio]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(2R)-3-oxobutan-2-yl]sulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[[(1R)-2-keto-1-methyl-propyl]thio]-3-methyl-xanthine Formula: C17H17ClN4O3S MolecularWeight: 392.85988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

Isomeric SMILES

C[C@H](C(=O)C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H17ClN4O3S/c1-9(23)10(2)26-17-19-14-13(15(24)20-16(25)21(14)3)22(17)8-11-6-4-5-7-12(11)18/h4-7,10H,8H2,1-3H3,(H,20,24,25)/t10-/m1/s1