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

Systemtic Name: ethyl 4-[(3-cyanophenyl)methylamino]-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-cyanophenyl)methylamino]-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-[(3-cyanophenyl)methylamino]-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyanophenyl)methylamino]-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-[(3-cyanobenzyl)amino]-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N8O4 MolecularWeight: 462.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC(=C2)C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC(=C2)C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N8O4/c1-2-34-21(31)18-14-28-22(25-9-8-24-19-7-6-17(13-26-19)30(32)33)29-20(18)27-12-16-5-3-4-15(10-16)11-23/h3-7,10,13-14H,2,8-9,12H2,1H3,(H,24,26)(H2,25,27,28,29)