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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5,7-diphenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5,7-diphenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5,7-diphenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-piperonyl-amine Formula: C26H20N4O2 MolecularWeight: 420.4626

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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)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C26H20N4O2/c1-3-7-19(8-4-1)21-15-30(20-9-5-2-6-10-20)26-24(21)25(28-16-29-26)27-14-18-11-12-22-23(13-18)32-17-31-22/h1-13,15-16H,14,17H2,(H,27,28,29)