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

Systemtic Name: N6-[(4-fluorophenyl)methyl]-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-fluorophenyl)methyl]-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-fluorophenyl)methyl]-N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-fluorophenyl)methyl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C18H23FN6O2 MolecularWeight: 374.412623

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H23FN6O2/c1-23-9-7-15(8-10-23)24(2)18-16(25(26)27)17(21-12-22-18)20-11-13-3-5-14(19)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,20,21,22)