N6-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-N4-propan-2-yl-pyrimidine-2,4,6-triamine

Systemtic Name: N6-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-N4-propan-2-yl-pyrimidine-2,4,6-triamine Openeye Name: N6-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-N4-isopropyl-pyrimidine-2,4,6-triamine CAS Name: N6-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-N4-propan-2-ylpyrimidine-2,4,6-triamine IUPAC Name: 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine Traditional Name: [2-amino-6-[3-fluoro-4-(4-pyridylthio)anilino]pyrimidin-4-yl]-isopropyl-amine Formula: C18H19FN6S MolecularWeight: 370.447063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC(=C1)NC2=CC(=C(C=C2)SC3=CC=NC=C3)F)N

Isomeric SMILES

CC(C)NC1=NC(=NC(=C1)NC2=CC(=C(C=C2)SC3=CC=NC=C3)F)N

InChI

InChI=1S/C18H19FN6S/c1-11(2)22-16-10-17(25-18(20)24-16)23-12-3-4-15(14(19)9-12)26-13-5-7-21-8-6-13/h3-11H,1-2H3,(H4,20,22,23,24,25)