1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[(2R)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[(2R)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]sulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-[[(2R)-2-hydroxypropyl]thio]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]sulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-[[(2R)-2-hydroxypropyl]thio]-3,7-dimethyl-xanthine Formula: C17H19ClN4O3S MolecularWeight: 394.87576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C[C@H](CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C17H19ClN4O3S/c1-10(23)9-26-16-19-14-13(20(16)2)15(24)22(17(25)21(14)3)8-11-4-6-12(18)7-5-11/h4-7,10,23H,8-9H2,1-3H3/t10-/m1/s1