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

Systemtic Name: 1-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-ylethyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C18H23N6+ MolecularWeight: 323.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC(C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N[C@H](C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C18H22N6/c1-23-18-15(11-21-23)17(19-13-20-18)22-16(12-24-9-5-6-10-24)14-7-3-2-4-8-14/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,19,20,22)/p+1/t16-/m1/s1