ethyl 2-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C19H22N4O3S/c1-2-26-19(25)14-7-3-4-8-15(14)22-17(24)12-27-18-11-16(20-13-21-18)23-9-5-6-10-23/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,22,24)