2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5-ethyl-6-methyl-3-(2-methyl-4-oxidanyl-phenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5-ethyl-6-methyl-3-(2-methyl-4-oxidanyl-phenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5-ethyl-3-(4-hydroxy-2-methyl-phenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-5-ethyl-3-(4-hydroxy-2-methyl-phenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3COC4=CC=CC=C4O3)C5=C(C=C(C=C5)O)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3COC4=CC=CC=C4O3)C5=C(C=C(C=C5)O)C)C

InChI

InChI=1S/C25H24N2O4S2/c1-4-18-15(3)33-23-22(18)24(29)27(19-10-9-16(28)11-14(19)2)25(26-23)32-13-17-12-30-20-7-5-6-8-21(20)31-17/h5-11,17,28H,4,12-13H2,1-3H3