2-[(2-bromophenyl)methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine CAS Name: 2-[(2-bromophenyl)methylthio]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine Traditional Name: 2-[(2-bromobenzyl)thio]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine Formula: C13H17BrN2S MolecularWeight: 313.25648

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=CC=CC=C2Br)C

Isomeric SMILES

CC1(CNC(=NC1)SCC2=CC=CC=C2Br)C

InChI

InChI=1S/C13H17BrN2S/c1-13(2)8-15-12(16-9-13)17-7-10-5-3-4-6-11(10)14/h3-6H,7-9H2,1-2H3,(H,15,16)