5-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]-2-thenoate Formula: C10H8N3O3S2- MolecularWeight: 282.31882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)[O-])CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=C(SC(=C1)C(=O)[O-])CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C10H9N3O3S2/c11-7-3-8(14)13-10(12-7)17-4-5-1-2-6(18-5)9(15)16/h1-3H,4H2,(H,15,16)(H3,11,12,13,14)/p-1