ethyl 4-(3-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(3-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(3-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N7O4 MolecularWeight: 433.42006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=CC(=C2)C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=CC(=C2)C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N7O4/c1-2-32-20(29)17-13-26-21(27-19(17)15-5-3-4-14(10-15)11-22)24-9-8-23-18-7-6-16(12-25-18)28(30)31/h3-7,10,12-13H,2,8-9H2,1H3,(H,23,25)(H,24,26,27)