1-[(2,6-diethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylmethyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2,6-diethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylmethyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(2,6-diethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylmethyl]pyrazole-3-carboxylic acid CAS Name: 1-[[(2,6-diethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)thio]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2,6-diethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanylmethyl]pyrazole-3-carboxylic acid Traditional Name: 1-[[(2,6-diethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]methyl]pyrazole-3-carboxylic acid Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCN3C=CC(=N3)C(=O)O)CC

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCN3C=CC(=N3)C(=O)O)CC

InChI

InChI=1S/C14H16N6O3S/c1-3-18-7-10-11(17-18)12(21)20(4-2)14(15-10)24-8-19-6-5-9(16-19)13(22)23/h5-7H,3-4,8H2,1-2H3,(H,22,23)