2-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(5-bromobenzofuran-2-yl)-2-oxo-ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(5-bromo-2-benzofuranyl)-2-oxoethyl]thio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(5-bromobenzofuran-2-yl)-2-keto-ethyl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C26H19BrN2O3S2 MolecularWeight: 551.47466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC5=C(O4)C=CC(=C5)Br)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC5=C(O4)C=CC(=C5)Br)CC=C

InChI

InChI=1S/C26H19BrN2O3S2/c1-3-10-29-25(31)23-19(16-6-4-15(2)5-7-16)13-33-24(23)28-26(29)34-14-20(30)22-12-17-11-18(27)8-9-21(17)32-22/h3-9,11-13H,1,10,14H2,2H3