1-[2-(3-cyanopropylsulfanyl)pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine

Systemtic Name: 1-[2-(3-cyanopropylsulfanyl)pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: 1-[2-(3-cyanopropylsulfanyl)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: 1-[2-(3-cyanopropylthio)-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: 1-[2-(3-cyanopropylsulfanyl)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: 1-[2-(3-cyanopropylthio)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C11H13F3N6S MolecularWeight: 318.32133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13F3N6S/c12-11(13,14)7-18-9(16)19-8-3-5-17-10(20-8)21-6-2-1-4-15/h3,5H,1-2,6-7H2,(H3,16,17,18,19,20)