3-[(4-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinazoline-6-carboxylic acid

Systemtic Name: 3-[(4-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinazoline-6-carboxylic acid Openeye Name: 3-[(4-methylsulfonylphenyl)methyl]-4-oxo-quinazoline-6-carboxylic acid CAS Name: 3-[(4-methylsulfonylphenyl)methyl]-4-oxo-6-quinazolinecarboxylic acid IUPAC Name: 3-[(4-methylsulfonylphenyl)methyl]-4-oxoquinazoline-6-carboxylic acid Traditional Name: 4-keto-3-(4-mesylbenzyl)quinazoline-6-carboxylic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N2O5S/c1-25(23,24)13-5-2-11(3-6-13)9-19-10-18-15-7-4-12(17(21)22)8-14(15)16(19)20/h2-8,10H,9H2,1H3,(H,21,22)