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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-1-(4-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C17H17ClN4O3S MolecularWeight: 392.85988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O3S/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/h4-7H,8-9H2,1-3H3