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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN6O3/c1-13(11-28-2)22-17-16(25(26)27)18(21-12-20-17)24-9-7-23(8-10-24)15-5-3-14(19)4-6-15/h3-6,12-13H,7-11H2,1-2H3,(H,20,21,22)