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

Systemtic Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-N-(2-methoxyethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-methoxyethyl)amine Formula: C17H21FN6O3 MolecularWeight: 376.385443

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C17H21FN6O3/c1-27-11-6-19-16-15(24(25)26)17(21-12-20-16)23-9-7-22(8-10-23)14-5-3-2-4-13(14)18/h2-5,12H,6-11H2,1H3,(H,19,20,21)