methyl 2-azanyl-2-pyrimidin-2-ylsulfanyl-ethanoate

Systemtic Name: methyl 2-azanyl-2-pyrimidin-2-ylsulfanyl-ethanoate Openeye Name: methyl 2-amino-2-pyrimidin-2-ylsulfanyl-acetate CAS Name: 2-amino-2-(2-pyrimidinylthio)acetic acid methyl ester IUPAC Name: methyl 2-amino-2-pyrimidin-2-ylsulfanylacetate Traditional Name: 2-amino-2-(2-pyrimidylthio)acetic acid methyl ester Formula: C7H9N3O2S MolecularWeight: 199.23026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(N)SC1=NC=CC=N1

Isomeric SMILES

COC(=O)C(N)SC1=NC=CC=N1

InChI

InChI=1S/C7H9N3O2S/c1-12-6(11)5(8)13-7-9-3-2-4-10-7/h2-5H,8H2,1H3