2-azanyl-4-[[7-methoxy-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoic acid

Systemtic Name: 2-azanyl-4-[[7-methoxy-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoic acid Openeye Name: 2-amino-4-[(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoic acid CAS Name: 2-amino-4-[(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoic acid IUPAC Name: 2-amino-4-[(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoic acid Traditional Name: 2-amino-4-[(2,4-diketo-7-methoxy-1H-quinazolin-3-yl)sulfonyl]benzoic acid Formula: C16H13N3O7S MolecularWeight: 391.35532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=O)N2)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=O)N2)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)N

InChI

InChI=1S/C16H13N3O7S/c1-26-8-2-4-11-13(6-8)18-16(23)19(14(11)20)27(24,25)9-3-5-10(15(21)22)12(17)7-9/h2-7H,17H2,1H3,(H,18,23)(H,21,22)