N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-piperonyl-amine Formula: C19H14ClN5O2 MolecularWeight: 379.79976

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl

InChI

InChI=1S/C19H14ClN5O2/c20-13-2-4-14(5-3-13)25-19-15(9-24-25)18(22-10-23-19)21-8-12-1-6-16-17(7-12)27-11-26-16/h1-7,9-10H,8,11H2,(H,21,22,23)