6-methyl-2-(phenylmethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-methyl-2-(phenylmethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 2-benzyl-6-methyl-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-methyl-2-(phenylmethyl)-5-[2-(1-piperidin-1-iumyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 2-benzyl-6-methyl-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 2-benzyl-6-methyl-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NN(C=C2C(=O)N1CC[NH+]3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=NN(C=C2C(=O)N1CC[NH+]3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O/c1-16-21-19-18(15-24(22-19)14-17-8-4-2-5-9-17)20(26)25(16)13-12-23-10-6-3-7-11-23/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3/p+1