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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(3-chlorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C26H19ClN4O2 MolecularWeight: 454.90766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19ClN4O2/c27-19-7-4-8-20(12-19)31-14-21(18-5-2-1-3-6-18)24-25(29-15-30-26(24)31)28-13-17-9-10-22-23(11-17)33-16-32-22/h1-12,14-15H,13,16H2,(H,28,29,30)