N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: homopiperonyl-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C20H17N5O2/c1-2-4-15(5-3-1)25-20-16(11-24-25)19(22-12-23-20)21-9-8-14-6-7-17-18(10-14)27-13-26-17/h1-7,10-12H,8-9,13H2,(H,21,22,23)