2-(3-azanyl-6-bromanyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-azanyl-6-bromanyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(3-amino-6-bromo-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[(3-amino-6-bromo-4-oxo-2-quinazolinyl)thio]-2-phenylacetic acid IUPAC Name: 2-(3-amino-6-bromo-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(3-amino-6-bromo-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetic acid Formula: C16H12BrN3O3S MolecularWeight: 406.25378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2N

InChI

InChI=1S/C16H12BrN3O3S/c17-10-6-7-12-11(8-10)14(21)20(18)16(19-12)24-13(15(22)23)9-4-2-1-3-5-9/h1-8,13H,18H2,(H,22,23)