N4-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-[[3-(1-pyrrolidinyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (6-amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-(3-pyrrolidinobenzyl)amine Formula: C16H19N7 MolecularWeight: 309.36896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC(=C2)CNC3=NC(=NC4=C3C=NN4)N

Isomeric SMILES

C1CCN(C1)C2=CC=CC(=C2)CNC3=NC(=NC4=C3C=NN4)N

InChI

InChI=1S/C16H19N7/c17-16-20-14(13-10-19-22-15(13)21-16)18-9-11-4-3-5-12(8-11)23-6-1-2-7-23/h3-5,8,10H,1-2,6-7,9H2,(H4,17,18,19,20,21,22)