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

Systemtic Name: 4-[1-(diethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(diethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(diethylamino)-1-oxopropan-2-yl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[1-(diethylamino)-1-oxopropan-2-yl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(diethylamino)-2-keto-1-methyl-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)SC1=NC(=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCN(CC)C(=O)C(C)SC1=NC(=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C14H21N3O3S/c1-6-17(7-2)13(18)9(4)21-12-11(14(19)20)8(3)15-10(5)16-12/h9H,6-7H2,1-5H3,(H,19,20)