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

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-phenethyl-pentanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-phenethyl-pentanamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-phenethylpentanamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-phenethylpentanamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-phenethyl-valeramide Formula: C26H30BrN3O2S MolecularWeight: 528.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C26H30BrN3O2S/c1-4-8-23(24(31)28-16-15-19-9-6-5-7-10-19)33-26-29-18(2)22(25(32)30(26)3)17-20-11-13-21(27)14-12-20/h5-7,9-14,23H,4,8,15-17H2,1-3H3,(H,28,31)