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

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

CCCC(C(=O)NC(C)C)SC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCCC(C(=O)NC(C)C)SC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)Br)C

InChI

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