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

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrimidin-4-yl]amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[(1-tert-butoxycarbonyl-2H-pyrimidin-4-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2H-pyrimidin-4-yl]amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrimidin-4-yl]amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 2-[2-[(1-tert-butoxycarbonyl-2H-pyrimidin-4-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29N7O4 MolecularWeight: 491.54226

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N7O4/c1-5-35-22(33)19-15-29-23(31-21(19)18-8-6-17(14-26)7-9-18)28-12-11-27-20-10-13-32(16-30-20)24(34)36-25(2,3)4/h6-10,13,15H,5,11-12,16H2,1-4H3,(H,27,30)(H,28,29,31)