1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C23H25N6+ MolecularWeight: 385.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H24N6/c1-2-10-20(11-3-1)29-23-21(15-27-29)22(25-17-26-23)24-14-18-8-4-5-9-19(18)16-28-12-6-7-13-28/h1-5,8-11,15,17H,6-7,12-14,16H2,(H,24,25,26)/p+1