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

Systemtic Name: N4-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-morpholin-4-yl-pyrimidine-2,4-diamine Openeye Name: N4-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-6-morpholino-pyrimidine-2,4-diamine CAS Name: N4-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-6-(4-morpholinyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine Traditional Name: (2-amino-6-morpholino-pyrimidin-4-yl)-[3-fluoro-4-(4-pyridylthio)phenyl]amine Formula: C19H19FN6OS MolecularWeight: 398.457163

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

Isomeric SMILES

C1COCCN1C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

InChI

InChI=1S/C19H19FN6OS/c20-15-11-13(1-2-16(15)28-14-3-5-22-6-4-14)23-17-12-18(25-19(21)24-17)26-7-9-27-10-8-26/h1-6,11-12H,7-10H2,(H3,21,23,24,25)