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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-phenethyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-phenethyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-phenethylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Formula: C22H17BrN2O2S2 MolecularWeight: 485.41658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O2S2/c23-17-8-6-16(7-9-17)19(26)14-29-22-24-18-11-13-28-20(18)21(27)25(22)12-10-15-4-2-1-3-5-15/h1-9,11,13H,10,12,14H2