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

Systemtic Name: 1,2-dimethyl-5-(pyrimidin-2-ylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate hydrate Openeye Name: 1,2-dimethyl-5-(pyrimidin-2-ylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate hydrate CAS Name: 1,2-dimethyl-5-[(2-pyrimidinylthio)methyl]-4-pyrimidin-1-iumamine perchlorate hydrate IUPAC Name: 1,2-dimethyl-5-(pyrimidin-2-ylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate hydrate Traditional Name: [1,2-dimethyl-5-[(2-pyrimidylthio)methyl]pyrimidin-1-ium-4-yl]amine perchlorate hydrate Formula: C11H16ClN5O5S MolecularWeight: 365.79324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CSC2=NC=CC=N2)C.O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CSC2=NC=CC=N2)C.O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C11H13N5S.ClHO4.H2O/c1-8-15-10(12)9(6-16(8)2)7-17-11-13-4-3-5-14-11;2-1(3,4)5;/h3-6,12H,7H2,1-2H3;(H,2,3,4,5);1H2