2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-3-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-3-methyl-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:

CN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCCO4)SC=C2C5=CC=CS5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C21H16N2O4S3/c1-23-20(25)18-13(17-3-2-8-28-17)10-29-19(18)22-21(23)30-11-14(24)12-4-5-15-16(9-12)27-7-6-26-15/h2-5,8-10H,6-7,11H2,1H3