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

Systemtic Name: N-(2,2-dimethoxyethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,2-dimethoxyethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(2,2-dimethoxyethyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,2-dimethoxyethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: 2,2-dimethoxyethyl-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H23FN6O4 MolecularWeight: 406.411423

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F)OC

Isomeric SMILES

COC(CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F)OC

InChI

InChI=1S/C18H23FN6O4/c1-28-15(29-2)11-20-17-16(25(26)27)18(22-12-21-17)24-9-7-23(8-10-24)14-6-4-3-5-13(14)19/h3-6,12,15H,7-11H2,1-2H3,(H,20,21,22)