1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate

Systemtic Name: 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate Openeye Name: 1-[4-(4,5-dihydrothiazol-2-ylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate CAS Name: benzoic acid methyl ester; 1-[4-[(4,5-dihydrothiazol-2-ylthio)methyl]-6-methoxy-2-pyrimidinyl]-3-sulfonylurea IUPAC Name: 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-6-methoxypyrimidin-2-yl]-3-sulfonylurea; methyl benzoate Traditional Name: benzoic acid methyl ester; 1-[4-methoxy-6-[(2-thiazolin-2-ylthio)methyl]pyrimidin-2-yl]-3-sulfonyl-urea Formula: C18H19N5O6S3 MolecularWeight: 497.56836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)CSC2=NCCS2)NC(=O)N=S(=O)=O.COC(=O)C1=CC=CC=C1

Isomeric SMILES

COC1=NC(=NC(=C1)CSC2=NCCS2)NC(=O)N=S(=O)=O.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H11N5O4S3.C8H8O2/c1-19-7-4-6(5-21-10-11-2-3-20-10)12-8(13-7)14-9(16)15-22(17)18;1-10-8(9)7-5-3-2-4-6-7/h4H,2-3,5H2,1H3,(H,12,13,14,16);2-6H,1H3