2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-allyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-allyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4)SC=C2

InChI

InChI=1S/C21H24N2O2S2/c1-2-4-23-19(25)16-3-5-26-18(16)22-20(23)27-12-17(24)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-3,5,13-15H,1,4,6-12H2