2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H18N2O4S2 MolecularWeight: 450.53002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

InChI

InChI=1S/C23H18N2O4S2/c1-13-14(2)31-21-20(13)22(27)25(16-6-4-3-5-7-16)23(24-21)30-11-17(26)15-8-9-18-19(10-15)29-12-28-18/h3-10H,11-12H2,1-2H3