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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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