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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-butyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC(=C2C)C

InChI

InChI=1S/C21H22N2O4S2/c1-4-5-8-23-20(25)18-12(2)13(3)29-19(18)22-21(23)28-10-15(24)14-6-7-16-17(9-14)27-11-26-16/h6-7,9H,4-5,8,10-11H2,1-3H3