4,5-dimethyl-2-(2-pyridin-1-ium-4-ylethylsulfanyl)pyrimidine

Systemtic Name: 4,5-dimethyl-2-(2-pyridin-1-ium-4-ylethylsulfanyl)pyrimidine Openeye Name: 4,5-dimethyl-2-(2-pyridin-1-ium-4-ylethylsulfanyl)pyrimidine CAS Name: 4,5-dimethyl-2-[2-(4-pyridin-1-iumyl)ethylthio]pyrimidine IUPAC Name: 4,5-dimethyl-2-(2-pyridin-1-ium-4-ylethylsulfanyl)pyrimidine Traditional Name: 4,5-dimethyl-2-(2-pyridin-1-ium-4-ylethylthio)pyrimidine Formula: C13H16N3S+ MolecularWeight: 246.35124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C)SCCC2=CC=[NH+]C=C2

Isomeric SMILES

CC1=CN=C(N=C1C)SCCC2=CC=[NH+]C=C2

InChI

InChI=1S/C13H15N3S/c1-10-9-15-13(16-11(10)2)17-8-5-12-3-6-14-7-4-12/h3-4,6-7,9H,5,8H2,1-2H3/p+1