N4-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-(3-nitrophenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-(3-nitrophenyl)pyrimidine-2,4-diamine Openeye Name: N4-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-6-(3-nitrophenyl)pyrimidine-2,4-diamine CAS Name: N4-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-6-(3-nitrophenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-(3-nitrophenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(3-nitrophenyl)pyrimidin-4-yl]-[3-fluoro-4-(4-pyridylthio)phenyl]amine Formula: C21H15FN6O2S MolecularWeight: 434.446203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

InChI

InChI=1S/C21H15FN6O2S/c22-17-11-14(4-5-19(17)31-16-6-8-24-9-7-16)25-20-12-18(26-21(23)27-20)13-2-1-3-15(10-13)28(29)30/h1-12H,(H3,23,25,26,27)