2-(phenylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydrochloride

Systemtic Name: 2-(phenylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydrochloride Openeye Name: 2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidine hydrochloride CAS Name: 2-(phenylmethylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride IUPAC Name: 2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidine hydrochloride Traditional Name: 2-(benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride Formula: C11H15ClN2S MolecularWeight: 242.7682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)SCC2=CC=CC=C2.Cl

Isomeric SMILES

C1CNC(=NC1)SCC2=CC=CC=C2.Cl

InChI

InChI=1S/C11H14N2S.ClH/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11;/h1-3,5-6H,4,7-9H2,(H,12,13);1H