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

Systemtic Name: N6-[3,4-bis(fluoranyl)phenyl]-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3,4-difluorophenyl)-N4-(3-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3,4-difluorophenyl)-N4-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3,4-difluorophenyl)-4-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]-(3-methyl-2-pyridyl)amine Formula: C16H12F2N6O2 MolecularWeight: 358.302286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H12F2N6O2/c1-9-3-2-6-19-14(9)23-16-13(24(25)26)15(20-8-21-16)22-10-4-5-11(17)12(18)7-10/h2-8H,1H3,(H2,19,20,21,22,23)