4-oxidanylidene-4-[(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)amino]butanoic acid Openeye Name: 4-oxo-4-[(4-oxo-2-thioxo-1H-pyrimidin-6-yl)amino]butanoic acid CAS Name: 4-oxo-4-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)amino]butanoic acid IUPAC Name: 4-oxo-4-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)amino]butanoic acid Traditional Name: 4-keto-4-[(4-keto-2-thioxo-1H-pyrimidin-6-yl)amino]butyric acid Formula: C8H9N3O4S MolecularWeight: 243.23976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=S)NC1=O)NC(=O)CCC(=O)O

Isomeric SMILES

C1=C(NC(=S)NC1=O)NC(=O)CCC(=O)O

InChI

InChI=1S/C8H9N3O4S/c12-5(1-2-7(14)15)9-4-3-6(13)11-8(16)10-4/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13,16)