N4-(3,4-dimethylphenyl)-N2-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-N2-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-(2-fluorophenyl)amine Formula: C18H17FN6O2 MolecularWeight: 368.364983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=CC=C3F)C

InChI

InChI=1S/C18H17FN6O2/c1-10-7-8-12(9-11(10)2)21-17-15(25(26)27)16(20)23-18(24-17)22-14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H4,20,21,22,23,24)