8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-3-methyl-7-propyl-xanthine Formula: C16H17ClN4O2S MolecularWeight: 364.84978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H17ClN4O2S/c1-3-8-21-12-13(20(2)15(23)19-14(12)22)18-16(21)24-9-10-4-6-11(17)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,19,22,23)