ethyl 4-[[6-[2-[2,6-bis(chloranyl)phenyl]ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[2-[2,6-bis(chloranyl)phenyl]ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[2-(2,6-dichlorophenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[2-(2,6-dichlorophenyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-(2,6-dichlorophenyl)ethylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[2-(2,6-dichlorophenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H24Cl2N6O4 MolecularWeight: 483.34836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCC3=C(C=CC=C3Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCC3=C(C=CC=C3Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H24Cl2N6O4/c1-2-32-20(29)27-10-7-13(8-11-27)26-19-17(28(30)31)18(24-12-25-19)23-9-6-14-15(21)4-3-5-16(14)22/h3-5,12-13H,2,6-11H2,1H3,(H2,23,24,25,26)