7-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]heptanoic acid

Systemtic Name: 7-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]heptanoic acid Openeye Name: 7-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]heptanoic acid CAS Name: 7-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]heptanoic acid Traditional Name: 7-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]enanthic acid Formula: C13H18ClN3O3S MolecularWeight: 331.81832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCCCCCCC(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCCCCCC(=O)O)Cl

InChI

InChI=1S/C13H18ClN3O3S/c1-21-13-16-8-9(14)11(17-13)12(20)15-7-5-3-2-4-6-10(18)19/h8H,2-7H2,1H3,(H,15,20)(H,18,19)