methyl 2-[2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)N3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)N3CCOCC3

InChI

InChI=1S/C19H22N4O4S/c1-13-11-16(23-7-9-27-10-8-23)22-19(20-13)28-12-17(24)21-15-6-4-3-5-14(15)18(25)26-2/h3-6,11H,7-10,12H2,1-2H3,(H,21,24)