ethyl 4-(4-cyanophenyl)-2-[2-[(5-methoxycarbonylpyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[2-[(5-methoxycarbonylpyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[2-[(5-methoxycarbonyl-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[2-[(5-methoxycarbonyl-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[2-[(5-methoxycarbonylpyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 2-[2-[(5-carbomethoxy-2-pyridyl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H22N6O4/c1-3-33-22(31)18-14-28-23(29-20(18)16-6-4-15(12-24)5-7-16)26-11-10-25-19-9-8-17(13-27-19)21(30)32-2/h4-9,13-14H,3,10-11H2,1-2H3,(H,25,27)(H,26,28,29)