2-[2,4-bis(oxidanylidene)-5-[(phenylmethyl)sulfonylamino]-1H-pyrimidin-3-yl]propanoic acid

Systemtic Name: 2-[2,4-bis(oxidanylidene)-5-[(phenylmethyl)sulfonylamino]-1H-pyrimidin-3-yl]propanoic acid Openeye Name: 2-[5-(benzylsulfonylamino)-2,4-dioxo-1H-pyrimidin-3-yl]propanoic acid CAS Name: 2-[2,4-dioxo-5-[(phenylmethyl)sulfonylamino]-1H-pyrimidin-3-yl]propanoic acid IUPAC Name: 2-[5-(benzylsulfonylamino)-2,4-dioxo-1H-pyrimidin-3-yl]propanoic acid Traditional Name: 2-[5-(benzylsulfonylamino)-2,4-diketo-1H-pyrimidin-3-yl]propionic acid Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)C(=CNC1=O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)N1C(=O)C(=CNC1=O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O6S/c1-9(13(19)20)17-12(18)11(7-15-14(17)21)16-24(22,23)8-10-5-3-2-4-6-10/h2-7,9,16H,8H2,1H3,(H,15,21)(H,19,20)