3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-piperonyl-thieno[3,2-d]pyrimidin-4-one Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

InChI

InChI=1S/C20H20N2O4S2/c1-20(2,3)16(23)10-28-19-21-13-6-7-27-17(13)18(24)22(19)9-12-4-5-14-15(8-12)26-11-25-14/h4-8H,9-11H2,1-3H3