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

Systemtic Name: 1,2-dimethyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate Openeye Name: 1,2-dimethyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate CAS Name: 1,2-dimethyl-5-[(phenylthio)methyl]-4-pyrimidin-1-iumamine perchlorate IUPAC Name: 1,2-dimethyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate Traditional Name: [1,2-dimethyl-5-[(phenylthio)methyl]pyrimidin-1-ium-4-yl]amine perchlorate Formula: C13H16ClN3O4S MolecularWeight: 345.80184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CSC2=CC=CC=C2)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CSC2=CC=CC=C2)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H15N3S.ClHO4/c1-10-15-13(14)11(8-16(10)2)9-17-12-6-4-3-5-7-12;2-1(3,4)5/h3-8,14H,9H2,1-2H3;(H,2,3,4,5)