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

Systemtic Name: 8-chloranyl-7-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C20H20ClN5O4S MolecularWeight: 461.9219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)OC

InChI

InChI=1S/C20H20ClN5O4S/c1-5-30-13-7-6-11(8-14(13)29-4)17-22-12(10-31-17)9-26-15-16(23-19(26)21)24(2)20(28)25(3)18(15)27/h6-8,10H,5,9H2,1-4H3