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

Systemtic Name: 4-[6-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]hexyl]thiophene-2-carboxylic acid Openeye Name: 4-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hexyl]thiophene-2-carboxylic acid CAS Name: 4-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hexyl]-2-thiophenecarboxylic acid IUPAC Name: 4-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hexyl]thiophene-2-carboxylic acid Traditional Name: 4-[6-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)hexyl]-2-thenoic acid Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1CCCCCCC2=C(NC(=NC2=O)N)N)C(=O)O

Isomeric SMILES

C1=C(SC=C1CCCCCCC2=C(NC(=NC2=O)N)N)C(=O)O

InChI

InChI=1S/C15H20N4O3S/c16-12-10(13(20)19-15(17)18-12)6-4-2-1-3-5-9-7-11(14(21)22)23-8-9/h7-8H,1-6H2,(H,21,22)(H5,16,17,18,19,20)