6-chloranyl-2-[[methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 6-chloranyl-2-[[methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azaniumyl]methyl]quinazolin-4-olate Openeye Name: 2-[[(2-anilino-2-oxo-ethyl)-methyl-ammonio]methyl]-6-chloro-quinazolin-4-olate CAS Name: 2-[[(2-anilino-2-oxoethyl)-methylammonio]methyl]-6-chloro-4-quinazolinolate IUPAC Name: 2-[[(2-anilino-2-oxoethyl)-methylazaniumyl]methyl]-6-chloroquinazolin-4-olate Traditional Name: 2-[[(2-anilino-2-keto-ethyl)-methyl-ammonio]methyl]-6-chloro-quinazolin-4-olate Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2/c1-23(11-17(24)20-13-5-3-2-4-6-13)10-16-21-15-8-7-12(19)9-14(15)18(25)22-16/h2-9H,10-11H2,1H3,(H,20,24)(H,21,22,25)