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

Systemtic Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide Openeye Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide CAS Name: 4-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-(1-phenylethyl)butanamide IUPAC Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide Traditional Name: 4-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(1-phenylethyl)butyramide Formula: C25H28BrN3O2S MolecularWeight: 514.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NC(C)C2=CC=CC=C2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NC(C)C2=CC=CC=C2)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H28BrN3O2S/c1-17(20-8-5-4-6-9-20)27-23(30)10-7-15-32-25-28-18(2)22(24(31)29(25)3)16-19-11-13-21(26)14-12-19/h4-6,8-9,11-14,17H,7,10,15-16H2,1-3H3,(H,27,30)