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

Systemtic Name: N4-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-(furan-3-yl)pyrimidine-2,4-diamine Openeye Name: N4-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-6-(3-furyl)pyrimidine-2,4-diamine CAS Name: N4-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-6-(3-furanyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-(furan-3-yl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(3-furyl)pyrimidin-4-yl]-[3-fluoro-4-(4-pyridylthio)phenyl]amine Formula: C19H14FN5OS MolecularWeight: 379.410763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC(=C2)C3=COC=C3)N)F)SC4=CC=NC=C4

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC(=C2)C3=COC=C3)N)F)SC4=CC=NC=C4

InChI

InChI=1S/C19H14FN5OS/c20-15-9-13(1-2-17(15)27-14-3-6-22-7-4-14)23-18-10-16(24-19(21)25-18)12-5-8-26-11-12/h1-11H,(H3,21,23,24,25)