1-[6-[3-(5-methyl-6-oxidanylidene-1H-pyrimidin-2-yl)propylsulfanyl]pyridin-2-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine dihydrochloride

Systemtic Name: 1-[6-[3-(5-methyl-6-oxidanylidene-1H-pyrimidin-2-yl)propylsulfanyl]pyridin-2-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine dihydrochloride Openeye Name: 1-[6-[3-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propylsulfanyl]-2-pyridyl]-2-(2,2,2-trifluoroethyl)guanidine dihydrochloride CAS Name: 1-[6-[3-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propylthio]-2-pyridinyl]-2-(2,2,2-trifluoroethyl)guanidine dihydrochloride IUPAC Name: 1-[6-[3-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propylsulfanyl]pyridin-2-yl]-2-(2,2,2-trifluoroethyl)guanidine dihydrochloride Traditional Name: 1-[6-[3-(6-keto-5-methyl-1H-pyrimidin-2-yl)propylthio]-2-pyridyl]-2-(2,2,2-trifluoroethyl)guanidine dihydrochloride Formula: C16H21Cl2F3N6OS MolecularWeight: 473.34375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(NC1=O)CCCSC2=CC=CC(=N2)NC(=NCC(F)(F)F)N.Cl.Cl

Isomeric SMILES

CC1=CN=C(NC1=O)CCCSC2=CC=CC(=N2)NC(=NCC(F)(F)F)N.Cl.Cl

InChI

InChI=1S/C16H19F3N6OS.2ClH/c1-10-8-21-11(24-14(10)26)5-3-7-27-13-6-2-4-12(23-13)25-15(20)22-9-16(17,18)19;;/h2,4,6,8H,3,5,7,9H2,1H3,(H,21,24,26)(H3,20,22,23,25);2*1H