2-[4-[4-(phenylmethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-1-yl]ethanamine

Systemtic Name: 2-[4-[4-(phenylmethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-1-yl]ethanamine Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanamine CAS Name: 2-[4-[4-(phenylmethyl)-1-piperazinyl]-1-pyrazolo[3,4-d]pyrimidinyl]ethanamine IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanamine Traditional Name: 2-[4-(4-benzylpiperazino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylamine Formula: C18H23N7 MolecularWeight: 337.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4CCN

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4CCN

InChI

InChI=1S/C18H23N7/c19-6-7-25-18-16(12-22-25)17(20-14-21-18)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-5,12,14H,6-11,13,19H2