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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5-cyclopropyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5-cyclopropyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-5-cyclopropyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC=C2C5CC5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC=C2C5CC5

InChI

InChI=1S/C21H18N2O4S2/c1-2-7-23-20(25)18-14(12-3-4-12)9-28-19(18)22-21(23)29-10-15(24)13-5-6-16-17(8-13)27-11-26-16/h2,5-6,8-9,12H,1,3-4,7,10-11H2