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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-ethanoylphenyl)ethanamide Openeye Name: N-(2-acetylphenyl)-2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-acetylphenyl)-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-acetylphenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-acetylphenyl)-2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)C)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)C)CC=C)C

InChI

InChI=1S/C21H21N3O3S2/c1-5-10-24-20(27)18-12(2)14(4)29-19(18)23-21(24)28-11-17(26)22-16-9-7-6-8-15(16)13(3)25/h5-9H,1,10-11H2,2-4H3,(H,22,26)