4-(2-diethylaminoethylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-diethylaminoethylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-diethylaminoethylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-diethylaminoethylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-diethylaminoethylsulfanyl)-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-diethylaminoethylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H23N3O2S MolecularWeight: 297.41632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCCN(CC)CC)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCCN(CC)CC)C(=O)O)C

InChI

InChI=1S/C14H23N3O2S/c1-5-11-15-10(4)12(14(18)19)13(16-11)20-9-8-17(6-2)7-3/h5-9H2,1-4H3,(H,18,19)