ethyl 3-[3-[(6-chloranylpyrimidin-4-yl)amino]propanoylamino]benzoate

Systemtic Name: ethyl 3-[3-[(6-chloranylpyrimidin-4-yl)amino]propanoylamino]benzoate Openeye Name: ethyl 3-[3-[(6-chloropyrimidin-4-yl)amino]propanoylamino]benzoate CAS Name: 3-[[3-[(6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(6-chloropyrimidin-4-yl)amino]propanoylamino]benzoate Traditional Name: 3-[3-[(6-chloropyrimidin-4-yl)amino]propanoylamino]benzoic acid ethyl ester Formula: C16H17ClN4O3 MolecularWeight: 348.78418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCNC2=CC(=NC=N2)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCNC2=CC(=NC=N2)Cl

InChI

InChI=1S/C16H17ClN4O3/c1-2-24-16(23)11-4-3-5-12(8-11)21-15(22)6-7-18-14-9-13(17)19-10-20-14/h3-5,8-10H,2,6-7H2,1H3,(H,21,22)(H,18,19,20)