N6-(4-fluorophenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-fluorophenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-fluorophenyl)-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-fluorophenyl)-N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-fluorophenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-fluoroanilino)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C17H21FN6O2 MolecularWeight: 360.386043

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)F

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)F

InChI

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