S-[[6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl] ethanethioate; methyl benzoate

Systemtic Name: S-[[6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl] ethanethioate; methyl benzoate Openeye Name: S-[[6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl] ethanethioate; methyl benzoate CAS Name: benzoic acid methyl ester; ethanethioic acid S-[[6-methoxy-2-[[oxo-(sulfonylamino)methyl]amino]-4-pyrimidinyl]methyl] ester IUPAC Name: S-[[6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl] ethanethioate; methyl benzoate Traditional Name: benzoic acid methyl ester; ethanethioic acid S-[[6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl] ester Formula: C17H18N4O7S2 MolecularWeight: 454.47742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)OC.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)SCC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)OC.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C9H10N4O5S2.C8H8O2/c1-5(14)19-4-6-3-7(18-2)11-8(10-6)12-9(15)13-20(16)17;1-10-8(9)7-5-3-2-4-6-7/h3H,4H2,1-2H3,(H,10,11,12,15);2-6H,1H3