ethyl 4-[[6-[2-(2,3-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[2-(2,3-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[2-(2,3-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[2-(2,3-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-(2,3-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[2-(2,3-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H30N6O6 MolecularWeight: 474.5102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O6/c1-4-34-22(29)27-12-9-16(10-13-27)26-21-18(28(30)31)20(24-14-25-21)23-11-8-15-6-5-7-17(32-2)19(15)33-3/h5-7,14,16H,4,8-13H2,1-3H3,(H2,23,24,25,26)