1-[4-methoxy-6-(pyridin-2-ylsulfanylmethyl)pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate

Systemtic Name: 1-[4-methoxy-6-(pyridin-2-ylsulfanylmethyl)pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate Openeye Name: 1-[4-methoxy-6-(2-pyridylsulfanylmethyl)pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate CAS Name: benzoic acid methyl ester; 1-[4-methoxy-6-[(2-pyridinylthio)methyl]-2-pyrimidinyl]-3-sulfonylurea IUPAC Name: 1-[4-methoxy-6-(pyridin-2-ylsulfanylmethyl)pyrimidin-2-yl]-3-sulfonylurea; methyl benzoate Traditional Name: benzoic acid methyl ester; 1-[4-methoxy-6-[(2-pyridylthio)methyl]pyrimidin-2-yl]-3-sulfonyl-urea Formula: C20H19N5O6S2 MolecularWeight: 489.52476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)CSC2=CC=CC=N2)NC(=O)N=S(=O)=O.COC(=O)C1=CC=CC=C1

Isomeric SMILES

COC1=NC(=NC(=C1)CSC2=CC=CC=N2)NC(=O)N=S(=O)=O.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H11N5O4S2.C8H8O2/c1-21-9-6-8(7-22-10-4-2-3-5-13-10)14-11(15-9)16-12(18)17-23(19)20;1-10-8(9)7-5-3-2-4-6-7/h2-6H,7H2,1H3,(H,14,15,16,18);2-6H,1H3