6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(2-ethyl-1-piperidyl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(2-ethyl-1-piperidinyl)-N-[(4-fluorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C18H22FN5O2 MolecularWeight: 359.397983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN5O2/c1-2-15-5-3-4-10-23(15)18-16(24(25)26)17(21-12-22-18)20-11-13-6-8-14(19)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H,20,21,22)