1-adamantyl-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: 1-adamantyl-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 1-adamantyl-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 1-adamantyl-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 1-adamantyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: 1-adamantyl-[(4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=NC(=O)C5=C(N4)C6=CC=CC=C6O5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=NC(=O)C5=C(N4)C6=CC=CC=C6O5

InChI

InChI=1S/C21H23N3O2/c25-20-19-18(15-3-1-2-4-16(15)26-19)23-17(24-20)11-22-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14,22H,5-11H2,(H,23,24,25)/p+1