4-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-7(2)11-15-8(3)10(14(19)20)12(16-11)21-9(4)13(18)17(5)6/h7,9H,1-6H3,(H,19,20)