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

Systemtic Name: N4-(2-azanylcyclohexyl)-N6-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)pyrimidine-2,4,6-triamine Openeye Name: N4-(2-aminocyclohexyl)-N6-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]pyrimidine-2,4,6-triamine CAS Name: N4-(2-aminocyclohexyl)-N6-[3-fluoro-4-(pyridin-4-ylthio)phenyl]pyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2-aminocyclohexyl)-6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine Traditional Name: [2-amino-6-[(2-aminocyclohexyl)amino]pyrimidin-4-yl]-[3-fluoro-4-(4-pyridylthio)phenyl]amine Formula: C21H24FN7S MolecularWeight: 425.525563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN7S/c22-15-11-13(5-6-18(15)30-14-7-9-25-10-8-14)26-19-12-20(29-21(24)28-19)27-17-4-2-1-3-16(17)23/h5-12,16-17H,1-4,23H2,(H4,24,26,27,28,29)