2-diethoxyphosphinothioyloxy-5-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 2-diethoxyphosphinothioyloxy-5-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 2-diethoxyphosphinothioyloxy-5-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 2-diethoxyphosphinothioyloxy-5-methyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 2-diethoxythiophosphoryloxy-5-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C12H16N3O5PS MolecularWeight: 345.311301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=NN2C=C(C(=NC2=C1)C)C(=O)O

Isomeric SMILES

CCOP(=S)(OCC)OC1=NN2C=C(C(=NC2=C1)C)C(=O)O

InChI

InChI=1S/C12H16N3O5PS/c1-4-18-21(22,19-5-2)20-11-6-10-13-8(3)9(12(16)17)7-15(10)14-11/h6-7H,4-5H2,1-3H3,(H,16,17)