2-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]propionic acid Formula: C10H13N3O5S MolecularWeight: 287.29232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SC)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SC)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C10H13N3O5S/c1-4-6(8(19-2)13-10(18)11-4)7(15)12-5(3-14)9(16)17/h5,14H,3H2,1-2H3,(H,12,15)(H,16,17)(H,11,13,18)