2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-[2-(2-pyridyl)ethyl]pentanamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-[2-(2-pyridinyl)ethyl]pentanamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-[2-(2-pyridyl)ethyl]valeramide Formula: C25H29BrN4O2S MolecularWeight: 529.49236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC1=CC=CC=N1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC(C(=O)NCCC1=CC=CC=N1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C25H29BrN4O2S/c1-4-7-22(23(31)28-15-13-20-8-5-6-14-27-20)33-25-29-17(2)21(24(32)30(25)3)16-18-9-11-19(26)12-10-18/h5-6,8-12,14,22H,4,7,13,15-16H2,1-3H3,(H,28,31)