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

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)pentanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-isobutyl-pentanamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-(2-methylpropyl)pentanamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)pentanamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-isobutyl-valeramide Formula: C22H30BrN3O2S MolecularWeight: 480.4615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrN3O2S/c1-6-7-19(20(27)24-13-14(2)3)29-22-25-15(4)18(21(28)26(22)5)12-16-8-10-17(23)11-9-16/h8-11,14,19H,6-7,12-13H2,1-5H3,(H,24,27)