N4-(2-fluorophenyl)-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-fluorophenyl)-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-fluorophenyl)-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(2-fluorophenyl)-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-fluorophenyl)-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C18H16FN5O2 MolecularWeight: 353.350343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3F

InChI

InChI=1S/C18H16FN5O2/c1-12-6-8-13(9-7-12)10-20-17-16(24(25)26)18(22-11-21-17)23-15-5-3-2-4-14(15)19/h2-9,11H,10H2,1H3,(H2,20,21,22,23)