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

Systemtic Name: 7-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C18H17N5O3S MolecularWeight: 383.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CSC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CSC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C18H17N5O3S/c1-21-15-14(17(24)22(2)18(21)25)23(10-19-15)8-12-9-27-16(20-12)11-4-6-13(26-3)7-5-11/h4-7,9-10H,8H2,1-3H3