2-[(2-azanyl-1,4-dihydropyrimidin-4-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(2-azanyl-1,4-dihydropyrimidin-4-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(2-amino-1,4-dihydropyrimidin-4-yl)sulfanyl]acetic acid CAS Name: 2-[(2-amino-1,4-dihydropyrimidin-4-yl)thio]acetic acid IUPAC Name: 2-[(2-amino-1,4-dihydropyrimidin-4-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-amino-1,4-dihydropyrimidin-4-yl)thio]acetic acid Formula: C6H9N3O2S MolecularWeight: 187.21956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=NC1SCC(=O)O)N

Isomeric SMILES

C1=CNC(=NC1SCC(=O)O)N

InChI

InChI=1S/C6H9N3O2S/c7-6-8-2-1-4(9-6)12-3-5(10)11/h1-2,4H,3H2,(H,10,11)(H3,7,8,9)