8-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[4-(4-chlorophenyl)-2-thiazolyl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[4-(4-chlorophenyl)thiazol-2-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H12ClN5O2S2 MolecularWeight: 405.88178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NC(=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NC(=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H12ClN5O2S2/c1-21-12-11(13(23)22(2)16(21)24)19-14(20-12)26-15-18-10(7-25-15)8-3-5-9(17)6-4-8/h3-7H,1-2H3,(H,19,20)