N-[3-ethyl-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[3-ethyl-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[3-ethyl-4-(2-pyridylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[3-ethyl-4-(2-pyridinylmethoxy)phenyl]-3-[2-(1-pyrrolidinyl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[3-ethyl-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-ethyl-4-(2-pyridylmethoxy)phenyl]-[3-(2-pyrrolidinoethoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C25H29N7O2 MolecularWeight: 459.54346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC=NC3=C2C(=NN3)OCCN4CCCC4)OCC5=CC=CC=N5

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC=NC3=C2C(=NN3)OCCN4CCCC4)OCC5=CC=CC=N5

InChI

InChI=1S/C25H29N7O2/c1-2-18-15-19(8-9-21(18)34-16-20-7-3-4-10-26-20)29-23-22-24(28-17-27-23)30-31-25(22)33-14-13-32-11-5-6-12-32/h3-4,7-10,15,17H,2,5-6,11-14,16H2,1H3,(H2,27,28,29,30,31)