[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C19H18N4O5S2 MolecularWeight: 446.50002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)OC

InChI

InChI=1S/C19H18N4O5S2/c1-26-16-7-17(27-2)23-19(22-16)21-15(24)8-28-18(25)12-3-5-14(6-4-12)30-10-13-9-29-11-20-13/h3-7,9,11H,8,10H2,1-2H3,(H,21,22,23,24)