1-[2-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine

Systemtic Name: 1-[2-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: 1-[2-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: 1-[2-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propoxy]-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: 1-[2-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: 1-[2-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C13H17F3N8OS MolecularWeight: 390.38729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCCCOC2=NC=CC(=N2)NC(=NCC(F)(F)F)N

Isomeric SMILES

CC1=NC(=NN1)SCCCOC2=NC=CC(=N2)NC(=NCC(F)(F)F)N

InChI

InChI=1S/C13H17F3N8OS/c1-8-20-12(24-23-8)26-6-2-5-25-11-18-4-3-9(22-11)21-10(17)19-7-13(14,15)16/h3-4H,2,5-7H2,1H3,(H,20,23,24)(H3,17,18,19,21,22)