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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-ethyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-ethyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-ethyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H16N2O4S3 MolecularWeight: 456.55774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CS5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C21H16N2O4S3/c1-2-23-20(25)18-13(17-4-3-7-28-17)9-29-19(18)22-21(23)30-10-14(24)12-5-6-15-16(8-12)27-11-26-15/h3-9H,2,10-11H2,1H3