2-[3-(5-bromanyl-2-methyl-phenyl)sulfanylpropyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[3-(5-bromanyl-2-methyl-phenyl)sulfanylpropyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[3-(5-bromo-2-methyl-phenyl)sulfanylpropyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[3-[(5-bromo-2-methylphenyl)thio]propyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[3-(5-bromo-2-methylphenyl)sulfanylpropyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[3-[(5-bromo-2-methyl-phenyl)thio]propyl]-1,4,5,6-tetrahydropyrimidine Formula: C14H19BrN2S MolecularWeight: 327.28306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)SCCCC2=NCCCN2

Isomeric SMILES

CC1=C(C=C(C=C1)Br)SCCCC2=NCCCN2

InChI

InChI=1S/C14H19BrN2S/c1-11-5-6-12(15)10-13(11)18-9-2-4-14-16-7-3-8-17-14/h5-6,10H,2-4,7-9H2,1H3,(H,16,17)