ethyl 4-(4-aminocarbonylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-pyridin-4-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-aminocarbonylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-pyridin-4-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-carbamoylphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-6-(4-pyridyl)pyrimidine-5-carboxylate CAS Name: 4-(4-carbamoylphenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-6-pyridin-4-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-carbamoylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-pyridin-4-ylpyrimidine-5-carboxylate Traditional Name: 4-(4-carbamoylphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-6-(4-pyridyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H24N8O5 MolecularWeight: 528.51936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C2=CC=NC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C2=CC=NC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C26H24N8O5/c1-2-39-25(36)21-22(16-3-5-18(6-4-16)24(27)35)32-26(33-23(21)17-9-11-28-12-10-17)30-14-13-29-20-8-7-19(15-31-20)34(37)38/h3-12,15H,2,13-14H2,1H3,(H2,27,35)(H,29,31)(H,30,32,33)