7-chloranyl-2-[[ethyl-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[ethyl-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[ethyl-[2-(isobutylamino)-2-oxo-ethyl]ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[ethyl-[2-(2-methylpropylamino)-2-oxoethyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[ethyl-[2-(isobutylamino)-2-keto-ethyl]ammonio]methyl]quinazolin-4-olate Formula: C17H23ClN4O2 MolecularWeight: 350.84312

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NCC(C)C

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NCC(C)C

InChI

InChI=1S/C17H23ClN4O2/c1-4-22(10-16(23)19-8-11(2)3)9-15-20-14-7-12(18)5-6-13(14)17(24)21-15/h5-7,11H,4,8-10H2,1-3H3,(H,19,23)(H,20,21,24)