3-(4-bromophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(4-bromophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(4-bromophenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(4-bromophenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(4-bromophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(4-bromophenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C18H17BrN2O2S2 MolecularWeight: 437.37378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)SC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)SC=C2

InChI

InChI=1S/C18H17BrN2O2S2/c1-18(2,3)14(22)10-25-17-20-13-8-9-24-15(13)16(23)21(17)12-6-4-11(19)5-7-12/h4-9H,10H2,1-3H3