1-adamantyl-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl]ammonium CAS Name: 1-adamantyl-[[3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]azanium Traditional Name: 1-adamantyl-[[3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl]ammonium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

InChI

InChI=1S/C21H26N4O2/c22-18(26)12-25-19(24-17-4-2-1-3-16(17)20(25)27)11-23-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15,23H,5-12H2,(H2,22,26)/p+1