4-[2-(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 4-[2-(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-(4,5-dimethyl-6-oxido-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4,5-dimethyl-6-oxido-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(4,5-dimethyl-6-oxidopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4,5-dimethyl-6-oxido-pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C15H13N3O4S-2 MolecularWeight: 331.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C15H15N3O4S/c1-8-9(2)16-15(18-13(8)20)23-7-12(19)17-11-5-3-10(4-6-11)14(21)22/h3-6H,7H2,1-2H3,(H,17,19)(H,21,22)(H,16,18,20)/p-2