(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid

Systemtic Name: (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Openeye Name: (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid CAS Name: [(5-methyl-7-pyrazolo[1,5-a]pyrimidinyl)methylthio]methylphosphonic acid IUPAC Name: (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Traditional Name: [(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylthio]methylphosphonic acid Formula: C9H12N3O3PS MolecularWeight: 273.248641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=NN2C(=C1)CSCP(=O)(O)O

Isomeric SMILES

CC1=NC2=CC=NN2C(=C1)CSCP(=O)(O)O

InChI

InChI=1S/C9H12N3O3PS/c1-7-4-8(5-17-6-16(13,14)15)12-9(11-7)2-3-10-12/h2-4H,5-6H2,1H3,(H2,13,14,15)