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

Systemtic Name: methyl 4-[2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(6-morpholinopyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-morpholinopyrimidin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCOCC3

InChI

InChI=1S/C18H20N4O4S/c1-25-18(24)13-2-4-14(5-3-13)21-16(23)11-27-17-10-15(19-12-20-17)22-6-8-26-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H,21,23)