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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)SC=C2

InChI

InChI=1S/C22H26N4O3S2/c1-2-4-26-19(28)16-3-5-30-18(16)24-21(26)31-12-17(27)23-20(29)25-22-9-13-6-14(10-22)8-15(7-13)11-22/h2-3,5,13-15H,1,4,6-12H2,(H2,23,25,27,29)