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

Systemtic Name: 6-(3-aminophenyl)-N4-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)pyrimidine-2,4-diamine Openeye Name: 6-(3-aminophenyl)-N4-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]pyrimidine-2,4-diamine CAS Name: 6-(3-aminophenyl)-N4-[3-fluoro-4-(pyridin-4-ylthio)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(3-aminophenyl)-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(3-aminophenyl)pyrimidin-4-yl]-[3-fluoro-4-(4-pyridylthio)phenyl]amine Formula: C21H17FN6S MolecularWeight: 404.463283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)N)C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

InChI

InChI=1S/C21H17FN6S/c22-17-11-15(4-5-19(17)29-16-6-8-25-9-7-16)26-20-12-18(27-21(24)28-20)13-2-1-3-14(23)10-13/h1-12H,23H2,(H3,24,26,27,28)