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

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

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

Isomeric SMILES

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

InChI

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