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

Systemtic Name: 5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethyl]thiophene-2-carboxylic acid Openeye Name: 5-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]thiophene-2-carboxylic acid CAS Name: 5-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]thiophene-2-carboxylic acid Traditional Name: 5-[2-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)ethyl]-2-thenoic acid Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)CCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)CCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C11H12N4O3S/c12-8-6(9(16)15-11(13)14-8)3-1-5-2-4-7(19-5)10(17)18/h2,4H,1,3H2,(H,17,18)(H5,12,13,14,15,16)