2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5-cyclopropyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5-cyclopropyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-5-cyclopropyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H18N2O4S2 MolecularWeight: 462.54072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C24H18N2O4S2/c27-18(15-8-9-19-20(10-15)30-13-29-19)12-32-24-25-22-21(17(11-31-22)14-6-7-14)23(28)26(24)16-4-2-1-3-5-16/h1-5,8-11,14H,6-7,12-13H2