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

Systemtic Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-propan-2-yl-pyrimidin-4-amine Openeye Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-isopropyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-N-propan-2-yl-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-propan-2-ylpyrimidin-4-amine Traditional Name: [6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-isopropyl-amine Formula: C17H21FN6O2 MolecularWeight: 360.386043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

InChI

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