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

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[2-[(1-methoxycarbonyl-2H-pyrimidin-4-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[2-[(1-methoxycarbonyl-2H-pyrimidin-4-yl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[2-[(1-methoxycarbonyl-2H-pyrimidin-4-yl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[2-[(1-methoxycarbonyl-2H-pyrimidin-4-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 2-[2-[(1-carbomethoxy-2H-pyrimidin-4-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N7O4 MolecularWeight: 449.46252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NCN(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NCN(C=C3)C(=O)OC

InChI

InChI=1S/C22H23N7O4/c1-3-33-20(30)17-13-26-21(28-19(17)16-6-4-15(12-23)5-7-16)25-10-9-24-18-8-11-29(14-27-18)22(31)32-2/h4-8,11,13H,3,9-10,14H2,1-2H3,(H,24,27)(H,25,26,28)