N4-(2,3-dimethylphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,3-dimethylphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dimethylphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dimethylphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C19H18FN5O2 MolecularWeight: 367.376923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C19H18FN5O2/c1-12-4-3-5-16(13(12)2)24-19-17(25(26)27)18(22-11-23-19)21-10-14-6-8-15(20)9-7-14/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)