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

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-adamantyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1-adamantyl)-2-keto-ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C18H20N2O2S/c21-15(9-20-10-19-16-14(17(20)22)1-2-23-16)18-6-11-3-12(7-18)5-13(4-11)8-18/h1-2,10-13H,3-9H2