methyl 3-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylpropanoate Openeye Name: methyl 3-(4-amino-6-chloro-pyrimidin-2-yl)sulfanylpropanoate CAS Name: 3-[(4-amino-6-chloro-2-pyrimidinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-amino-6-chloropyrimidin-2-yl)sulfanylpropanoate Traditional Name: 3-[(4-amino-6-chloro-pyrimidin-2-yl)thio]propionic acid methyl ester Formula: C8H10ClN3O2S MolecularWeight: 247.7019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=CC(=N1)Cl)N

Isomeric SMILES

COC(=O)CCSC1=NC(=CC(=N1)Cl)N

InChI

InChI=1S/C8H10ClN3O2S/c1-14-7(13)2-3-15-8-11-5(9)4-6(10)12-8/h4H,2-3H2,1H3,(H2,10,11,12)