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

Systemtic Name: 2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-3-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-3-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-bromophenyl)-4-oxobutyl]thio]-3-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-bromophenyl)-4-keto-butyl]thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H15BrN2O2S2 MolecularWeight: 423.3472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCCCC(=O)C3=CC=C(C=C3)Br)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCCCC(=O)C3=CC=C(C=C3)Br)SC=C2

InChI

InChI=1S/C17H15BrN2O2S2/c1-20-16(22)13-8-10-23-15(13)19-17(20)24-9-2-3-14(21)11-4-6-12(18)7-5-11/h4-8,10H,2-3,9H2,1H3