5-[3-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]propyl]-2-thenoic acid Formula: C12H14N4O3S2 MolecularWeight: 326.39456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)CCCSC2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)CCCSC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C12H14N4O3S2/c13-9-8(10(17)16-12(14)15-9)20-5-1-2-6-3-4-7(21-6)11(18)19/h3-4H,1-2,5H2,(H,18,19)(H5,13,14,15,16,17)