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

Systemtic Name: 5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-propan-2-yl-pentanamide Openeye Name: 5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-isopropyl-pentanamide CAS Name: 5-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-propan-2-ylpentanamide IUPAC Name: 5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-propan-2-ylpentanamide Traditional Name: 5-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-isopropyl-valeramide Formula: C21H28BrN3O2S MolecularWeight: 466.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)NC(C)C)C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)NC(C)C)C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H28BrN3O2S/c1-14(2)23-19(26)7-5-6-12-28-21-24-15(3)18(20(27)25(21)4)13-16-8-10-17(22)11-9-16/h8-11,14H,5-7,12-13H2,1-4H3,(H,23,26)