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

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(3-amino-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[(3-amino-4-oxo-2-quinazolinyl)thio]-2-phenylacetic acid IUPAC Name: 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(3-amino-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=CC=CC=C3C(=O)N2N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=CC=CC=C3C(=O)N2N

InChI

InChI=1S/C16H13N3O3S/c17-19-14(20)11-8-4-5-9-12(11)18-16(19)23-13(15(21)22)10-6-2-1-3-7-10/h1-9,13H,17H2,(H,21,22)