ethyl 4-[[6-[(3-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[(3-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[(3-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[(3-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(3-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[(3-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H23FN6O4 MolecularWeight: 418.422123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H23FN6O4/c1-2-30-19(27)25-8-6-15(7-9-25)24-18-16(26(28)29)17(22-12-23-18)21-11-13-4-3-5-14(20)10-13/h3-5,10,12,15H,2,6-9,11H2,1H3,(H2,21,22,23,24)