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

Systemtic Name: ethyl 4-[(3-bromophenyl)methylamino]-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-bromophenyl)methylamino]-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-[(3-bromophenyl)methylamino]-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromophenyl)methylamino]-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-[(3-bromobenzyl)amino]-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22BrN7O4 MolecularWeight: 516.34788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN7O4/c1-2-33-20(30)17-13-27-21(28-19(17)26-11-14-4-3-5-15(22)10-14)24-9-8-23-18-7-6-16(12-25-18)29(31)32/h3-7,10,12-13H,2,8-9,11H2,1H3,(H,23,25)(H2,24,26,27,28)