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

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazinyl)-N-[(4-fluorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C17H21FN6O2 MolecularWeight: 360.386043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H21FN6O2/c1-2-22-7-9-23(10-8-22)17-15(24(25)26)16(20-12-21-17)19-11-13-3-5-14(18)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,19,20,21)