2,4-dimethyl-6-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(isoamylamino)-2-keto-ethyl]thio]-2,6-dimethyl-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)SCC(=O)NCCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NCCC(C)C)C(=O)O

InChI

InChI=1S/C14H21N3O3S/c1-8(2)5-6-15-11(18)7-21-13-12(14(19)20)9(3)16-10(4)17-13/h8H,5-7H2,1-4H3,(H,15,18)(H,19,20)