7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxypropylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxypropylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(2-hydroxypropylthio)-1,3-dimethyl-xanthine Formula: C17H19ClN4O3S MolecularWeight: 394.87576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C17H19ClN4O3S/c1-10(23)9-26-16-19-14-13(15(24)21(3)17(25)20(14)2)22(16)8-11-6-4-5-7-12(11)18/h4-7,10,23H,8-9H2,1-3H3