2-[6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzylsulfonylamino)-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[6-oxo-5-[(phenylmethyl)sulfonylamino]-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-(benzylsulfonylamino)-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-(benzylsulfonylamino)-6-keto-pyrimidin-1-yl]acetic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC2=CN=CN(C2=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC2=CN=CN(C2=O)CC(=O)O

InChI

InChI=1S/C13H13N3O5S/c17-12(18)7-16-9-14-6-11(13(16)19)15-22(20,21)8-10-4-2-1-3-5-10/h1-6,9,15H,7-8H2,(H,17,18)