3-(pyrimidin-2-ylcarbonylamino)cyclohexa-1,3-diene-1-sulfinate

Systemtic Name: 3-(pyrimidin-2-ylcarbonylamino)cyclohexa-1,3-diene-1-sulfinate Openeye Name: 3-(pyrimidine-2-carbonylamino)cyclohexa-1,3-diene-1-sulfinate CAS Name: 3-[[oxo(2-pyrimidinyl)methyl]amino]-1-cyclohexa-1,3-dienesulfinate IUPAC Name: 3-(pyrimidine-2-carbonylamino)cyclohexa-1,3-diene-1-sulfinate Traditional Name: 3-(pyrimidine-2-carbonylamino)cyclohexa-1,3-diene-1-sulfinate Formula: C11H10N3O3S- MolecularWeight: 264.2804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)NC(=O)C2=NC=CC=N2)S(=O)[O-]

Isomeric SMILES

C1CC(=CC(=C1)NC(=O)C2=NC=CC=N2)S(=O)[O-]

InChI

InChI=1S/C11H11N3O3S/c15-11(10-12-5-2-6-13-10)14-8-3-1-4-9(7-8)18(16)17/h2-3,5-7H,1,4H2,(H,14,15)(H,16,17)/p-1