4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)butanamide

Systemtic Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)butanamide Openeye Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-isopentyl-butanamide CAS Name: 4-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-(3-methylbutyl)butanamide IUPAC Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)butanamide Traditional Name: 4-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-isoamyl-butyramide Formula: C22H30BrN3O2S MolecularWeight: 480.4615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NCCC(C)C)C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NCCC(C)C)C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H30BrN3O2S/c1-15(2)11-12-24-20(27)6-5-13-29-22-25-16(3)19(21(28)26(22)4)14-17-7-9-18(23)10-8-17/h7-10,15H,5-6,11-14H2,1-4H3,(H,24,27)