3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-adamantyl)-2-oxoethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1-adamantyl)-2-keto-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)C=C(S5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)C=C(S5)C6=CC=CC=C6

InChI

InChI=1S/C24H24N2O2S/c27-21(24-10-15-6-16(11-24)8-17(7-15)12-24)13-26-14-25-22-19(23(26)28)9-20(29-22)18-4-2-1-3-5-18/h1-5,9,14-17H,6-8,10-13H2