4-(azepan-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(azepan-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(azepan-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(1-azepanyl)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(azepan-1-yl)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(azepan-1-yl)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C12H17N3O2S MolecularWeight: 267.34728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)N2CCCCCC2)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)N2CCCCCC2)C(=O)O

InChI

InChI=1S/C12H17N3O2S/c1-18-12-13-8-9(11(16)17)10(14-12)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3,(H,16,17)