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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

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