1-[2-(5-cyanopentylsulfanyl)pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine

Systemtic Name: 1-[2-(5-cyanopentylsulfanyl)pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: 1-[2-(5-cyanopentylsulfanyl)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: 1-[2-(5-cyanopentylthio)-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: 1-[2-(5-cyanopentylsulfanyl)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: 1-[2-(5-cyanopentylthio)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C13H17F3N6S MolecularWeight: 346.37449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)SCCCCCC#N

Isomeric SMILES

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)SCCCCCC#N

InChI

InChI=1S/C13H17F3N6S/c14-13(15,16)9-20-11(18)21-10-5-7-19-12(22-10)23-8-4-2-1-3-6-17/h5,7H,1-4,8-9H2,(H3,18,19,20,21,22)