N-(1,3-benzodioxol-5-yl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-6-(4-phenyl-1-piperazinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[1-phenyl-6-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C28H25N7O2 MolecularWeight: 491.5438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(C=NN4C5=CC=CC=C5)C(=N3)NC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(C=NN4C5=CC=CC=C5)C(=N3)NC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C28H25N7O2/c1-3-7-21(8-4-1)33-13-15-34(16-14-33)28-31-26(30-20-11-12-24-25(17-20)37-19-36-24)23-18-29-35(27(23)32-28)22-9-5-2-6-10-22/h1-12,17-18H,13-16,19H2,(H,30,31,32)