2-[3-[6-(3,3-diphenylpropylamino)purin-9-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[6-(3,3-diphenylpropylamino)purin-9-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[6-(3,3-diphenylpropylamino)purin-9-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[6-(3,3-diphenylpropylamino)-9-purinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[6-(3,3-diphenylpropylamino)purin-9-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[6-(3,3-diphenylpropylamino)purin-9-yl]propyl]isoindoline-1,3-quinone Formula: C31H28N6O2 MolecularWeight: 516.59302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC2=NC=NC3=C2N=CN3CCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC2=NC=NC3=C2N=CN3CCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C31H28N6O2/c38-30-25-14-7-8-15-26(25)31(39)37(30)19-9-18-36-21-35-27-28(33-20-34-29(27)36)32-17-16-24(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,20-21,24H,9,16-19H2,(H,32,33,34)