2-[[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]methyl]-6-chloranyl-quinazolin-4-olate

Systemtic Name: 2-[[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]methyl]-6-chloranyl-quinazolin-4-olate Openeye Name: 2-[[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-ammonio]methyl]-6-chloro-quinazolin-4-olate CAS Name: 2-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylammonio]methyl]-6-chloro-4-quinazolinolate IUPAC Name: 2-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazaniumyl]methyl]-6-chloroquinazolin-4-olate Traditional Name: 2-[[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-ammonio]methyl]-6-chloro-quinazolin-4-olate Formula: C19H18BrClN4O2 MolecularWeight: 449.72882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=NC3=C(C=C(C=C3)Cl)C(=N2)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=NC3=C(C=C(C=C3)Cl)C(=N2)[O-]

InChI

InChI=1S/C19H18BrClN4O2/c1-11-7-12(20)3-5-15(11)23-18(26)10-25(2)9-17-22-16-6-4-13(21)8-14(16)19(27)24-17/h3-8H,9-10H2,1-2H3,(H,23,26)(H,22,24,27)