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

Systemtic Name: 4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(3-methoxypropylamino)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-keto-2-(3-methoxypropylamino)ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-8-11(13(18)19)12(16-9(2)15-8)21-7-10(17)14-5-4-6-20-3/h4-7H2,1-3H3,(H,14,17)(H,18,19)