N-(4-bromophenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide

Systemtic Name: N-(4-bromophenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-bromophenyl)propanamide CAS Name: N-(4-bromophenyl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-bromophenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-bromophenyl)propionamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-14-18(11-12-19(26)24-17-9-7-16(22)8-10-17)20(27)25-21(23-14)28-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,24,26)(H,23,25,27)