ethyl 3-[2-[[4-[(pyridin-2-ylamino)methyl]phenyl]amino]pyrimidin-4-yl]propanoate

Systemtic Name: ethyl 3-[2-[[4-[(pyridin-2-ylamino)methyl]phenyl]amino]pyrimidin-4-yl]propanoate Openeye Name: ethyl 3-[2-[4-[(2-pyridylamino)methyl]anilino]pyrimidin-4-yl]propanoate CAS Name: 3-[2-[4-[(2-pyridinylamino)methyl]anilino]-4-pyrimidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-[(pyridin-2-ylamino)methyl]anilino]pyrimidin-4-yl]propanoate Traditional Name: 3-[2-[4-[(2-pyridylamino)methyl]anilino]pyrimidin-4-yl]propionic acid ethyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NC(=NC=C1)NC2=CC=C(C=C2)CNC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CCC1=NC(=NC=C1)NC2=CC=C(C=C2)CNC3=CC=CC=N3

InChI

InChI=1S/C21H23N5O2/c1-2-28-20(27)11-10-18-12-14-23-21(26-18)25-17-8-6-16(7-9-17)15-24-19-5-3-4-13-22-19/h3-9,12-14H,2,10-11,15H2,1H3,(H,22,24)(H,23,25,26)