N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C17H23N6S+ MolecularWeight: 343.46972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC2=NC=NC3=C2C=NN3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC2=NC=NC3=C2C=NN3)C4=CC=CS4

InChI

InChI=1S/C17H22N6S/c1-12-4-6-23(7-5-12)14(15-3-2-8-24-15)10-18-16-13-9-21-22-17(13)20-11-19-16/h2-3,8-9,11-12,14H,4-7,10H2,1H3,(H2,18,19,20,21,22)/p+1/t14-/m1/s1