8-chloranyl-1,3-dimethyl-7-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[[2-(p-tolyl)thiazol-4-yl]methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[2-(4-methylphenyl)-4-thiazolyl]methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[[2-(p-tolyl)thiazol-4-yl]methyl]xanthine Formula: C18H16ClN5O2S MolecularWeight: 401.86994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C18H16ClN5O2S/c1-10-4-6-11(7-5-10)15-20-12(9-27-15)8-24-13-14(21-17(24)19)22(2)18(26)23(3)16(13)25/h4-7,9H,8H2,1-3H3