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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)NCCC2=CC=CC=N2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)NCCC2=CC=CC=N2)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H29BrN4O2S/c1-18-22(17-19-9-11-20(26)12-10-19)24(32)30(2)25(29-18)33-16-6-4-8-23(31)28-15-13-21-7-3-5-14-27-21/h3,5,7,9-12,14H,4,6,8,13,15-17H2,1-2H3,(H,28,31)