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

Systemtic Name: 5-[2-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]ethyl]thiophene-2-carboxylic acid Openeye Name: 5-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]ethyl]thiophene-2-carboxylic acid CAS Name: 5-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]ethyl]thiophene-2-carboxylic acid Traditional Name: 5-[2-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]ethyl]-2-thenoic acid Formula: C11H12N4O3S2 MolecularWeight: 312.36798

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)CCSC2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)CCSC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C11H12N4O3S2/c12-8-7(9(16)15-11(13)14-8)19-4-3-5-1-2-6(20-5)10(17)18/h1-2H,3-4H2,(H,17,18)(H5,12,13,14,15,16)