2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C19H12N4O6S MolecularWeight: 424.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C19H12N4O6S/c24-16-11-3-1-10(18(25)26)5-12(11)20-15(21-16)7-30-19-23-22-17(29-19)9-2-4-13-14(6-9)28-8-27-13/h1-6H,7-8H2,(H,25,26)(H,20,21,24)