2-(2-prop-2-ynylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine hydrobromide

Systemtic Name: 2-(2-prop-2-ynylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine hydrobromide Openeye Name: 2-(2-prop-2-ynylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine hydrobromide CAS Name: 2-[2-(prop-2-ynylthio)phenyl]-1,4,5,6-tetrahydropyrimidine hydrobromide IUPAC Name: 2-(2-prop-2-ynylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine hydrobromide Traditional Name: 2-[2-(propargylthio)phenyl]-1,4,5,6-tetrahydropyrimidine hydrobromide Formula: C13H15BrN2S MolecularWeight: 311.2406

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=CC=CC=C1C2=NCCCN2.Br

Isomeric SMILES

C#CCSC1=CC=CC=C1C2=NCCCN2.Br

InChI

InChI=1S/C13H14N2S.BrH/c1-2-10-16-12-7-4-3-6-11(12)13-14-8-5-9-15-13;/h1,3-4,6-7H,5,8-10H2,(H,14,15);1H