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

Systemtic Name: 3-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]thiophene-2-carboxylic acid Openeye Name: 3-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]thiophene-2-carboxylic acid CAS Name: 3-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]thiophene-2-carboxylic acid Traditional Name: 3-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propyl]-2-thenoic acid Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1CCCC2=C(NC(=NC2=O)N)N)C(=O)O

Isomeric SMILES

C1=CSC(=C1CCCC2=C(NC(=NC2=O)N)N)C(=O)O

InChI

InChI=1S/C12H14N4O3S/c13-9-7(10(17)16-12(14)15-9)3-1-2-6-4-5-20-8(6)11(18)19/h4-5H,1-3H2,(H,18,19)(H5,13,14,15,16,17)