ethyl 4-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H22N4O3/c1-3-30-22(28)20-15-26-23(25-12-11-16-5-4-6-19(13-16)29-2)27-21(20)18-9-7-17(14-24)8-10-18/h4-10,13,15H,3,11-12H2,1-2H3,(H,25,26,27)