1-(4-cyanophenyl)ethyl 2-[2-[(5-methoxycarbonylpyridin-2-yl)amino]ethylamino]pyrimidine-4-carboxylate

Systemtic Name: 1-(4-cyanophenyl)ethyl 2-[2-[(5-methoxycarbonylpyridin-2-yl)amino]ethylamino]pyrimidine-4-carboxylate Openeye Name: 1-(4-cyanophenyl)ethyl 2-[2-[(5-methoxycarbonyl-2-pyridyl)amino]ethylamino]pyrimidine-4-carboxylate CAS Name: 2-[2-[(5-methoxycarbonyl-2-pyridinyl)amino]ethylamino]-4-pyrimidinecarboxylic acid 1-(4-cyanophenyl)ethyl ester IUPAC Name: 1-(4-cyanophenyl)ethyl 2-[2-[(5-methoxycarbonylpyridin-2-yl)amino]ethylamino]pyrimidine-4-carboxylate Traditional Name: 2-[2-[(5-carbomethoxy-2-pyridyl)amino]ethylamino]pyrimidine-4-carboxylic acid 1-(4-cyanophenyl)ethyl ester Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O4/c1-15(17-5-3-16(13-24)4-6-17)33-22(31)19-9-10-26-23(29-19)27-12-11-25-20-8-7-18(14-28-20)21(30)32-2/h3-10,14-15H,11-12H2,1-2H3,(H,25,28)(H,26,27,29)