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

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[2-(2-pyrimidinylamino)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-[2-(2-pyrimidylamino)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N7O2 MolecularWeight: 389.41056

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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=CC=N3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC=CC=N3

InChI

InChI=1S/C20H19N7O2/c1-2-29-18(28)16-13-26-20(25-11-10-24-19-22-8-3-9-23-19)27-17(16)15-6-4-14(12-21)5-7-15/h3-9,13H,2,10-11H2,1H3,(H,22,23,24)(H,25,26,27)