1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine

Systemtic Name: 1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: 1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: 1-[2-[3-(1H-imidazol-5-yl)propylthio]-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: 1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: 1-[2-[3-(1H-imidazol-5-yl)propylthio]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C13H16F3N7S MolecularWeight: 359.37325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)SCCCC2=CN=CN2

Isomeric SMILES

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)SCCCC2=CN=CN2

InChI

InChI=1S/C13H16F3N7S/c14-13(15,16)7-20-11(17)22-10-3-4-19-12(23-10)24-5-1-2-9-6-18-8-21-9/h3-4,6,8H,1-2,5,7H2,(H,18,21)(H3,17,19,20,22,23)