N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: diethyl-[4-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)methyl]benzyl]amine Formula: C17H22N6 MolecularWeight: 310.39678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C17H22N6/c1-3-23(4-2)11-14-7-5-13(6-8-14)9-18-16-15-10-21-22-17(15)20-12-19-16/h5-8,10,12H,3-4,9,11H2,1-2H3,(H2,18,19,20,21,22)