4,6-dimethyl-2-[[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine

Systemtic Name: 4,6-dimethyl-2-[[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 4,6-dimethyl-2-[[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine CAS Name: 4,6-dimethyl-2-[[4-methyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 4,6-dimethyl-2-[[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C17H27N6S2+ MolecularWeight: 379.56648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SCC[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SCC[NH+]3CCCCC3)C

InChI

InChI=1S/C17H26N6S2/c1-13-11-14(2)19-16(18-13)25-12-15-20-21-17(22(15)3)24-10-9-23-7-5-4-6-8-23/h11H,4-10,12H2,1-3H3/p+1