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

Systemtic Name: 4-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]-3-propyl-thiophene-2-carboxylic acid Openeye Name: 4-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]-3-propyl-thiophene-2-carboxylic acid CAS Name: 4-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]-3-propyl-2-thiophenecarboxylic acid IUPAC Name: 4-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]-3-propylthiophene-2-carboxylic acid Traditional Name: 4-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]-3-propyl-2-thenoic acid Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC=C1SC2=C(NC(=NC2=O)N)N)C(=O)O

Isomeric SMILES

CCCC1=C(SC=C1SC2=C(NC(=NC2=O)N)N)C(=O)O

InChI

InChI=1S/C12H14N4O3S2/c1-2-3-5-6(4-20-7(5)11(18)19)21-8-9(13)15-12(14)16-10(8)17/h4H,2-3H2,1H3,(H,18,19)(H5,13,14,15,16,17)