ethyl 4-(4-cyanophenyl)-2-[2-(quinolin-2-ylamino)ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[2-(quinolin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[2-(2-quinolylamino)ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[2-(2-quinolinylamino)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[2-(quinolin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-[2-(2-quinolylamino)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H22N6O2 MolecularWeight: 438.48118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H22N6O2/c1-2-33-24(32)20-16-29-25(31-23(20)19-9-7-17(15-26)8-10-19)28-14-13-27-22-12-11-18-5-3-4-6-21(18)30-22/h3-12,16H,2,13-14H2,1H3,(H,27,30)(H,28,29,31)