4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-amino-2-methyl-3-oxo-propyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-amino-2-methyl-3-oxopropyl)thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-amino-3-keto-2-methyl-propyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-4-8-14-7(3)9(12(17)18)11(15-8)19-5-6(2)10(13)16/h6H,4-5H2,1-3H3,(H2,13,16)(H,17,18)