7-chloranyl-2-[[[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-(3,5-dimethylanilino)-2-oxo-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-(3,5-dimethylanilino)-2-oxoethyl]-ethylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-(3,5-dimethylanilino)-2-oxoethyl]-ethylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-(3,5-dimethylanilino)-2-keto-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H23ClN4O2/c1-4-26(12-20(27)23-16-8-13(2)7-14(3)9-16)11-19-24-18-10-15(22)5-6-17(18)21(28)25-19/h5-10H,4,11-12H2,1-3H3,(H,23,27)(H,24,25,28)