4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-(4-piperonylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C23H22N6O2/c1-2-4-18(5-3-1)29-23-19(13-26-29)22(24-15-25-23)28-10-8-27(9-11-28)14-17-6-7-20-21(12-17)31-16-30-20/h1-7,12-13,15H,8-11,14,16H2