morpholin-4-yl-[5-[3-[4-(7H-purin-6-yl)piperazin-1-yl]propyl]pyridin-3-yl]methanone

Systemtic Name: morpholin-4-yl-[5-[3-[4-(7H-purin-6-yl)piperazin-1-yl]propyl]pyridin-3-yl]methanone Openeye Name: morpholino-[5-[3-[4-(7H-purin-6-yl)piperazin-1-yl]propyl]-3-pyridyl]methanone CAS Name: 4-morpholinyl-[5-[3-[4-(7H-purin-6-yl)-1-piperazinyl]propyl]-3-pyridinyl]methanone IUPAC Name: morpholin-4-yl-[5-[3-[4-(7H-purin-6-yl)piperazin-1-yl]propyl]pyridin-3-yl]methanone Traditional Name: morpholino-[5-[3-[4-(7H-purin-6-yl)piperazino]propyl]-3-pyridyl]methanone Formula: C22H28N8O2 MolecularWeight: 436.51012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CN=CC(=C2)C(=O)N3CCOCC3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCN1CCCC2=CN=CC(=C2)C(=O)N3CCOCC3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H28N8O2/c31-22(30-8-10-32-11-9-30)18-12-17(13-23-14-18)2-1-3-28-4-6-29(7-5-28)21-19-20(25-15-24-19)26-16-27-21/h12-16H,1-11H2,(H,24,25,26,27)