2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C20H17BrN2O2S MolecularWeight: 429.33018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O2S/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)26-12-18(24)15-7-9-16(21)10-8-15/h2-10H,11-12H2,1H3,(H,22,23,25)