1-methyl-6-(piperidin-1-ium-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-methyl-6-(piperidin-1-ium-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-6-(piperidin-1-ium-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-6-(1-piperidin-1-iumylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-methyl-6-(piperidin-1-ium-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-methyl-6-(piperidin-1-ium-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C12H18N5O+ MolecularWeight: 248.30422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC(=O)C2=CN1)C[NH+]3CCCCC3

Isomeric SMILES

CN1C2=NC(=NC(=O)C2=CN1)C[NH+]3CCCCC3

InChI

InChI=1S/C12H17N5O/c1-16-11-9(7-13-16)12(18)15-10(14-11)8-17-5-3-2-4-6-17/h7,13H,2-6,8H2,1H3/p+1