ethyl 4-(4-aminocarbonylphenyl)-6-ethyl-2-[2-(pyridin-2-ylamino)ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-aminocarbonylphenyl)-6-ethyl-2-[2-(pyridin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-carbamoylphenyl)-6-ethyl-2-[2-(2-pyridylamino)ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-carbamoylphenyl)-6-ethyl-2-[2-(2-pyridinylamino)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-carbamoylphenyl)-6-ethyl-2-[2-(pyridin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-carbamoylphenyl)-6-ethyl-2-[2-(2-pyridylamino)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC(=C1C(=O)OCC)C2=CC=C(C=C2)C(=O)N)NCCNC3=CC=CC=N3

Isomeric SMILES

CCC1=NC(=NC(=C1C(=O)OCC)C2=CC=C(C=C2)C(=O)N)NCCNC3=CC=CC=N3

InChI

InChI=1S/C23H26N6O3/c1-3-17-19(22(31)32-4-2)20(15-8-10-16(11-9-15)21(24)30)29-23(28-17)27-14-13-26-18-7-5-6-12-25-18/h5-12H,3-4,13-14H2,1-2H3,(H2,24,30)(H,25,26)(H,27,28,29)