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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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