2-ethyl-4-methyl-6-(2-oxidanylideneazepan-3-yl)sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-(2-oxidanylideneazepan-3-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-(2-oxoazepan-3-yl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[(2-oxo-3-azepanyl)thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-(2-oxoazepan-3-yl)sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[(2-ketoazepan-3-yl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SC2CCCCNC2=O)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC2CCCCNC2=O)C(=O)O)C

InChI

InChI=1S/C14H19N3O3S/c1-3-10-16-8(2)11(14(19)20)13(17-10)21-9-6-4-5-7-15-12(9)18/h9H,3-7H2,1-2H3,(H,15,18)(H,19,20)