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

Systemtic Name: 4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(1-amino-1-oxopropan-2-yl)thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1-amino-1-oxopropan-2-yl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-amino-2-keto-1-methyl-ethyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C11H15N3O3S MolecularWeight: 269.3201

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SC(C)C(=O)N)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC(C)C(=O)N)C(=O)O)C

InChI

InChI=1S/C11H15N3O3S/c1-4-7-13-5(2)8(11(16)17)10(14-7)18-6(3)9(12)15/h6H,4H2,1-3H3,(H2,12,15)(H,16,17)