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

Systemtic Name: ethyl 4-(4-butoxyphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-butoxyphenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-butoxyphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C24H28N6O5 MolecularWeight: 480.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NC=C2C(=O)OCC)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NC=C2C(=O)OCC)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O5/c1-3-5-14-35-19-9-6-17(7-10-19)22-20(23(31)34-4-2)16-28-24(29-22)26-13-12-25-21-11-8-18(15-27-21)30(32)33/h6-11,15-16H,3-5,12-14H2,1-2H3,(H,25,27)(H,26,28,29)