N-(1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)CC=C)C

InChI

InChI=1S/C20H19N3O4S2/c1-4-7-23-19(25)17-11(2)12(3)29-18(17)22-20(23)28-9-16(24)21-13-5-6-14-15(8-13)27-10-26-14/h4-6,8H,1,7,9-10H2,2-3H3,(H,21,24)