N-butyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H23FN6O2 MolecularWeight: 374.412623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H23FN6O2/c1-2-3-8-20-17-16(25(26)27)18(22-13-21-17)24-11-9-23(10-12-24)15-6-4-14(19)5-7-15/h4-7,13H,2-3,8-12H2,1H3,(H,20,21,22)