2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3COC4=CC=CC=C4O3)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3COC4=CC=CC=C4O3)CC=C)C

InChI

InChI=1S/C20H20N2O3S2/c1-4-9-22-19(23)17-12(2)13(3)27-18(17)21-20(22)26-11-14-10-24-15-7-5-6-8-16(15)25-14/h4-8,14H,1,9-11H2,2-3H3