1,2-dimethyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-4-amine

Systemtic Name: 1,2-dimethyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-4-amine Openeye Name: 1,2-dimethyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-4-amine CAS Name: 1,2-dimethyl-5-[(phenylthio)methyl]-4-pyrimidin-1-iumamine IUPAC Name: 1,2-dimethyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-4-amine Traditional Name: [1,2-dimethyl-5-[(phenylthio)methyl]pyrimidin-1-ium-4-yl]amine Formula: C13H16N3S+ MolecularWeight: 246.35124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CSC2=CC=CC=C2)C

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CSC2=CC=CC=C2)C

InChI

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