5-[[7-(hydroxymethyl)-6-methoxy-quinazolin-4-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[7-(hydroxymethyl)-6-methoxy-quinazolin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[7-(hydroxymethyl)-6-methoxy-quinazolin-4-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[7-(hydroxymethyl)-6-methoxy-4-quinazolinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[(6-methoxy-7-methylol-quinazolin-4-yl)amino]benzoic acid Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)C(=O)O)CO

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)C(=O)O)CO

InChI

InChI=1S/C17H15N3O5/c1-25-15-6-11-13(4-9(15)7-21)18-8-19-16(11)20-10-2-3-14(22)12(5-10)17(23)24/h2-6,8,21-22H,7H2,1H3,(H,23,24)(H,18,19,20)