6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C18H23FN6O3 MolecularWeight: 390.412023

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C18H23FN6O3/c1-28-12-4-7-20-17-16(25(26)27)18(22-13-21-17)24-10-8-23(9-11-24)15-6-3-2-5-14(15)19/h2-3,5-6,13H,4,7-12H2,1H3,(H,20,21,22)