ethyl 2,4-bis[[4-(cyanomethyl)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2,4-bis[[4-(cyanomethyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2,4-bis[4-(cyanomethyl)anilino]pyrimidine-5-carboxylate CAS Name: 2,4-bis[4-(cyanomethyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-bis[4-(cyanomethyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2,4-bis[4-(cyanomethyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)CC#N)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)CC#N)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C23H20N6O2/c1-2-31-22(30)20-15-26-23(28-19-9-5-17(6-10-19)12-14-25)29-21(20)27-18-7-3-16(4-8-18)11-13-24/h3-10,15H,2,11-12H2,1H3,(H2,26,27,28,29)