5-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-morpholin-4-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-morpholin-4-yl-pyrimidine-2,4-diamine Openeye Name: 5-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-6-morpholino-pyrimidine-2,4-diamine CAS Name: 5-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-6-(4-morpholinyl)pyrimidine-2,4-diamine IUPAC Name: 5-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-fluoro-4-(4-pyridylthio)phenyl]-6-morpholino-pyrimidin-4-yl]amine Formula: C19H19FN6OS MolecularWeight: 398.457163

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)SC4=CC=NC=C4)F

Isomeric SMILES

C1COCCN1C2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)SC4=CC=NC=C4)F

InChI

InChI=1S/C19H19FN6OS/c20-14-11-12(1-2-15(14)28-13-3-5-23-6-4-13)16-17(21)24-19(22)25-18(16)26-7-9-27-10-8-26/h1-6,11H,7-10H2,(H4,21,22,24,25)