N6-[2,4-bis(fluoranyl)phenyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2,4-bis(fluoranyl)phenyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,4-difluorophenyl)-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,4-difluorophenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,4-difluorophenyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C19H17F2N5O2 MolecularWeight: 385.367386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C19H17F2N5O2/c1-3-25(14-6-4-5-12(2)9-14)19-17(26(27)28)18(22-11-23-19)24-16-8-7-13(20)10-15(16)21/h4-11H,3H2,1-2H3,(H,22,23,24)