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

Systemtic Name: ethyl 4-(4-aminocarbonylphenyl)-6-ethyl-2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-carbamoylphenyl)-6-ethyl-2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-carbamoylphenyl)-6-ethyl-2-[2-(2-pyrimidinylamino)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-carbamoylphenyl)-6-ethyl-2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-carbamoylphenyl)-6-ethyl-2-[2-(2-pyrimidylamino)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H25N7O3 MolecularWeight: 435.479

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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=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O3/c1-3-16-17(20(31)32-4-2)18(14-6-8-15(9-7-14)19(23)30)29-22(28-16)27-13-12-26-21-24-10-5-11-25-21/h5-11H,3-4,12-13H2,1-2H3,(H2,23,30)(H,24,25,26)(H,27,28,29)