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

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N6O6 MolecularWeight: 468.46256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O6/c1-4-34-21(29)16-13-26-22(24-10-9-23-19-8-6-15(12-25-19)28(30)31)27-20(16)14-5-7-17(32-2)18(11-14)33-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,25)(H,24,26,27)