4-[(3-bromanyl-4-methyl-phenyl)amino]quinazoline-7-carboxylate

Systemtic Name: 4-[(3-bromanyl-4-methyl-phenyl)amino]quinazoline-7-carboxylate Openeye Name: 4-(3-bromo-4-methyl-anilino)quinazoline-7-carboxylate CAS Name: 4-(3-bromo-4-methylanilino)-7-quinazolinecarboxylate IUPAC Name: 4-(3-bromo-4-methylanilino)quinazoline-7-carboxylate Traditional Name: 4-(3-bromo-4-methyl-anilino)quinazoline-7-carboxylate Formula: C16H11BrN3O2- MolecularWeight: 357.18144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=NC3=C2C=CC(=C3)C(=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=NC3=C2C=CC(=C3)C(=O)[O-])Br

InChI

InChI=1S/C16H12BrN3O2/c1-9-2-4-11(7-13(9)17)20-15-12-5-3-10(16(21)22)6-14(12)18-8-19-15/h2-8H,1H3,(H,21,22)(H,18,19,20)/p-1