4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(1-amino-1-oxopropan-2-yl)thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(1-amino-1-oxopropan-2-yl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(2-amino-2-keto-1-methyl-ethyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C9H11N3O4S MolecularWeight: 257.26634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O4S/c1-3-5(8(14)15)7(12-9(16)11-3)17-4(2)6(10)13/h4H,1-2H3,(H2,10,13)(H,14,15)(H,11,12,16)