ethyl 3-[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]propanoate

Systemtic Name: ethyl 3-[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]propanoate Openeye Name: ethyl 3-[2-(4-cyanoanilino)pyrimidin-4-yl]propanoate CAS Name: 3-[2-(4-cyanoanilino)-4-pyrimidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-cyanoanilino)pyrimidin-4-yl]propanoate Traditional Name: 3-[2-(4-cyanoanilino)pyrimidin-4-yl]propionic acid ethyl ester Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NC(=NC=C1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)CCC1=NC(=NC=C1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H16N4O2/c1-2-22-15(21)8-7-14-9-10-18-16(20-14)19-13-5-3-12(11-17)4-6-13/h3-6,9-10H,2,7-8H2,1H3,(H,18,19,20)