N-(1,3-benzodioxol-5-ylmethyl)-7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-bromophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C26H19BrN4O2 MolecularWeight: 499.35866

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C(=CN4C5=CC=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C(=CN4C5=CC=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C26H19BrN4O2/c27-19-7-9-20(10-8-19)31-14-21(18-4-2-1-3-5-18)24-25(29-15-30-26(24)31)28-13-17-6-11-22-23(12-17)33-16-32-22/h1-12,14-15H,13,16H2,(H,28,29,30)