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

Systemtic Name: 7-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[2-(4-ethylphenyl)-4-thiazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C19H19N5O2S MolecularWeight: 381.45146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H19N5O2S/c1-4-12-5-7-13(8-6-12)17-21-14(10-27-17)9-24-11-20-16-15(24)18(25)23(3)19(26)22(16)2/h5-8,10-11H,4,9H2,1-3H3