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

Systemtic Name: N4-cyclopentyl-N6-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)pyrimidine-2,4,6-triamine Openeye Name: N4-cyclopentyl-N6-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]pyrimidine-2,4,6-triamine CAS Name: N4-cyclopentyl-N6-[3-fluoro-4-(pyridin-4-ylthio)phenyl]pyrimidine-2,4,6-triamine IUPAC Name: 4-N-cyclopentyl-6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine Traditional Name: [2-amino-6-(cyclopentylamino)pyrimidin-4-yl]-[3-fluoro-4-(4-pyridylthio)phenyl]amine Formula: C20H21FN6S MolecularWeight: 396.484343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC(=C2)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F)N

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC(=C2)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F)N

InChI

InChI=1S/C20H21FN6S/c21-16-11-14(5-6-17(16)28-15-7-9-23-10-8-15)25-19-12-18(26-20(22)27-19)24-13-3-1-2-4-13/h5-13H,1-4H2,(H4,22,24,25,26,27)