7-chloranyl-2-[[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-propyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-(2,6-dimethylanilino)-2-keto-ethyl]-propyl-ammonio]methyl]quinazolin-4-olate Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H25ClN4O2/c1-4-10-27(13-20(28)26-21-14(2)6-5-7-15(21)3)12-19-24-18-11-16(23)8-9-17(18)22(29)25-19/h5-9,11H,4,10,12-13H2,1-3H3,(H,26,28)(H,24,25,29)