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

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]benzofuro[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(1-adamantyl)-2-oxoethyl]-4-benzofuro[3,2-d]pyrimidinone IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 3-[2-(1-adamantyl)-2-keto-ethyl]benzofuro[3,2-d]pyrimidin-4-one Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)OC6=CC=CC=C65

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)OC6=CC=CC=C65

InChI

InChI=1S/C22H22N2O3/c25-18(22-8-13-5-14(9-22)7-15(6-13)10-22)11-24-12-23-19-16-3-1-2-4-17(16)27-20(19)21(24)26/h1-4,12-15H,5-11H2