2,4-dimethyl-6-(2-oxidanylideneazepan-3-yl)sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-(2-oxidanylideneazepan-3-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-(2-oxoazepan-3-yl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[(2-oxo-3-azepanyl)thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-(2-oxoazepan-3-yl)sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-ketoazepan-3-yl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC2CCCCNC2=O)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC2CCCCNC2=O)C(=O)O

InChI

InChI=1S/C13H17N3O3S/c1-7-10(13(18)19)12(16-8(2)15-7)20-9-5-3-4-6-14-11(9)17/h9H,3-6H2,1-2H3,(H,14,17)(H,18,19)