5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)sulfanyl-pyrimidin-4-one

Systemtic Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)sulfanyl-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[1-methyl-2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[[1-oxo-1-(1-piperidinyl)propan-2-yl]thio]-4-pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfanylpyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-2-[(2-keto-1-methyl-2-piperidino-ethyl)thio]-3,6-dimethyl-pyrimidin-4-one Formula: C21H26BrN3O2S MolecularWeight: 464.41904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SC(C)C(=O)N2CCCCC2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SC(C)C(=O)N2CCCCC2)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O2S/c1-14-18(13-16-7-9-17(22)10-8-16)20(27)24(3)21(23-14)28-15(2)19(26)25-11-5-4-6-12-25/h7-10,15H,4-6,11-13H2,1-3H3