3-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylpropanoic acid Openeye Name: 3-(4-amino-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(4-amino-5-ethoxycarbonyl-2-pyrimidinyl)thio]propanoic acid IUPAC Name: 3-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4-amino-5-carbethoxy-pyrimidin-2-yl)thio]propionic acid Formula: C10H13N3O4S MolecularWeight: 271.29292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCC(=O)O

InChI

InChI=1S/C10H13N3O4S/c1-2-17-9(16)6-5-12-10(13-8(6)11)18-4-3-7(14)15/h5H,2-4H2,1H3,(H,14,15)(H2,11,12,13)