5-acetamido-6-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-olate

Systemtic Name: 5-acetamido-6-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-olate Openeye Name: 5-acetamido-2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-acetamido-6-oxo-2-(phenylmethylthio)-1H-pyrimidin-4-olate IUPAC Name: 5-acetamido-2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-acetamido-2-(benzylthio)-6-keto-1H-pyrimidin-4-olate Formula: C13H12N3O3S- MolecularWeight: 290.31768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=C(NC1=O)SCC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(=O)NC1=C(N=C(NC1=O)SCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-8(17)14-10-11(18)15-13(16-12(10)19)20-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,17)(H2,15,16,18,19)/p-1