1-[2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-5,6-dihydro-4H-pyrimidin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-5,6-dihydro-4H-pyrimidin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]-5,6-dihydro-4H-pyrimidin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[2-[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]-5,6-dihydro-4H-pyrimidin-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]-5,6-dihydro-4H-pyrimidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[2-[2-[(5-bromo-2-methoxy-benzyl)thio]phenyl]-5,6-dihydro-4H-pyrimidin-1-yl]-3-methyl-butan-1-one Formula: C23H27BrN2O2S MolecularWeight: 475.44168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCN=C1C2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)CC(=O)N1CCCN=C1C2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H27BrN2O2S/c1-16(2)13-22(27)26-12-6-11-25-23(26)19-7-4-5-8-21(19)29-15-17-14-18(24)9-10-20(17)28-3/h4-5,7-10,14,16H,6,11-13,15H2,1-3H3