(2-diethylaminoethylamino) 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoate

Systemtic Name: (2-diethylaminoethylamino) 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoate Openeye Name: (2-diethylaminoethylamino) 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[(5-cyano-4-phenyl-2-pyrimidinyl)amino]benzoic acid (2-diethylaminoethylamino) ester IUPAC Name: (2-diethylaminoethylamino) 4-[(5-cyano-4-phenylpyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid (2-diethylaminoethylamino) ester Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNOC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCN(CC)CCNOC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H26N6O2/c1-3-30(4-2)15-14-27-32-23(31)19-10-12-21(13-11-19)28-24-26-17-20(16-25)22(29-24)18-8-6-5-7-9-18/h5-13,17,27H,3-4,14-15H2,1-2H3,(H,26,28,29)