N-(3-bromophenyl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(3-bromophenyl)acetamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H18BrN3O2S/c1-13-17(10-14-6-3-2-4-7-14)19(26)24-20(22-13)27-12-18(25)23-16-9-5-8-15(21)11-16/h2-9,11H,10,12H2,1H3,(H,23,25)(H,22,24,26)