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

Systemtic Name: 4-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(ethylamino)-1-oxopropan-2-yl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(ethylamino)-2-keto-1-methyl-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC(=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCNC(=O)C(C)SC1=NC(=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C12H17N3O3S/c1-5-13-10(16)7(3)19-11-9(12(17)18)6(2)14-8(4)15-11/h7H,5H2,1-4H3,(H,13,16)(H,17,18)