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

Systemtic Name: 7-chloranyl-2-[[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-(2,6-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=C(C=CC=C3C)C

Isomeric SMILES

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

InChI

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