4-azanyl-2-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]butyric acid Formula: C11H14N4O5S MolecularWeight: 314.31766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SC)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SC)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C11H14N4O5S/c1-4-7(9(21-2)15-11(20)13-4)8(17)14-5(10(18)19)3-6(12)16/h5H,3H2,1-2H3,(H2,12,16)(H,14,17)(H,18,19)(H,13,15,20)