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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5,6-dimethyl-1H-pyrimidin-4-one Formula: C14H13BrN2O2S MolecularWeight: 353.23422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H13BrN2O2S/c1-8-9(2)16-14(17-13(8)19)20-7-12(18)10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3,(H,16,17,19)