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

Systemtic Name: 2-[6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]propanoic acid Openeye Name: 2-[5-(benzylsulfonylamino)-6-oxo-pyrimidin-1-yl]propanoic acid CAS Name: 2-[6-oxo-5-[(phenylmethyl)sulfonylamino]-1-pyrimidinyl]propanoic acid IUPAC Name: 2-[5-(benzylsulfonylamino)-6-oxopyrimidin-1-yl]propanoic acid Traditional Name: 2-[5-(benzylsulfonylamino)-6-keto-pyrimidin-1-yl]propionic acid Formula: C14H15N3O5S MolecularWeight: 337.351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C=NC=C(C1=O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)N1C=NC=C(C1=O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O5S/c1-10(14(19)20)17-9-15-7-12(13(17)18)16-23(21,22)8-11-5-3-2-4-6-11/h2-7,9-10,16H,8H2,1H3,(H,19,20)