[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C21H24N2O4S/c24-17(21-8-13-5-14(9-21)7-15(6-13)10-21)11-27-18(25)1-3-23-12-22-19-16(20(23)26)2-4-28-19/h2,4,12-15H,1,3,5-11H2