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

Systemtic Name: 5-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]thiophene-3-carboxylic acid Openeye Name: 5-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]thiophene-3-carboxylic acid CAS Name: 5-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]thiophene-3-carboxylic acid Traditional Name: 5-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]-3-thenoic acid Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1C(=O)O)CCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=C(SC=C1C(=O)O)CCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C13H16N4O3S/c14-10-9(11(18)17-13(15)16-10)4-2-1-3-8-5-7(6-21-8)12(19)20/h5-6H,1-4H2,(H,19,20)(H5,14,15,16,17,18)