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

Systemtic Name: N-(1-adamantyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-2-4-24-19(26)16-3-5-27-18(16)22-20(24)28-12-17(25)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-3,5,13-15H,1,4,6-12H2,(H,23,25)