ethyl 2-[2-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[(4-amino-5-cyano-pyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate CAS Name: 2-[2-[(4-amino-5-cyano-2-pyrimidinyl)amino]ethylamino]-4-(4-cyanophenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-amino-5-cyanopyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate Traditional Name: 2-[2-[(4-amino-5-cyano-pyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N9O2 MolecularWeight: 429.43466

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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(=N3)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N9O2/c1-2-32-19(31)16-12-28-20(29-17(16)14-5-3-13(9-22)4-6-14)25-7-8-26-21-27-11-15(10-23)18(24)30-21/h3-6,11-12H,2,7-8H2,1H3,(H,25,28,29)(H3,24,26,27,30)