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

Systemtic Name: N6-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-N4,N4-dipropyl-pyrimidine-2,4,6-triamine Openeye Name: N6-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-N4,N4-dipropyl-pyrimidine-2,4,6-triamine CAS Name: N6-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-N4,N4-dipropylpyrimidine-2,4,6-triamine IUPAC Name: 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N,4-N-dipropylpyrimidine-2,4,6-triamine Traditional Name: [2-amino-6-[3-fluoro-4-(4-pyridylthio)anilino]pyrimidin-4-yl]-dipropyl-amine Formula: C21H25FN6S MolecularWeight: 412.526803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN6S/c1-3-11-28(12-4-2)20-14-19(26-21(23)27-20)25-15-5-6-18(17(22)13-15)29-16-7-9-24-10-8-16/h5-10,13-14H,3-4,11-12H2,1-2H3,(H3,23,25,26,27)