3-(1,3-benzodioxol-5-yl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-5-ethyl-2-(2-hydroxyethylthio)-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-ethyl-2-(2-hydroxyethylthio)-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCCO)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCCO)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H18N2O4S2/c1-3-12-10(2)26-16-15(12)17(22)20(18(19-16)25-7-6-21)11-4-5-13-14(8-11)24-9-23-13/h4-5,8,21H,3,6-7,9H2,1-2H3