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

Systemtic Name: 4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(1-amino-1-oxopropan-2-yl)thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1-amino-1-oxopropan-2-yl)sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-amino-2-keto-1-methyl-ethyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O3S/c1-4-7(10(15)16)9(13-6(3)12-4)17-5(2)8(11)14/h5H,1-3H3,(H2,11,14)(H,15,16)