2-[[[6-(methylsulfonylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[6-(methylsulfonylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[6-(methanesulfonamido)quinazolin-4-yl]amino]methylene]propanedioic acid CAS Name: 2-[[[6-(methanesulfonamido)-4-quinazolinyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[6-(methanesulfonamido)quinazolin-4-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[6-(methanesulfonamido)quinazolin-4-yl]amino]methylene]malonic acid Formula: C13H12N4O6S MolecularWeight: 352.32258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C13H12N4O6S/c1-24(22,23)17-7-2-3-10-8(4-7)11(16-6-15-10)14-5-9(12(18)19)13(20)21/h2-6,17H,1H3,(H,18,19)(H,20,21)(H,14,15,16)