morpholin-4-yl-[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]methanone

Systemtic Name: morpholin-4-yl-[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]methanone Openeye Name: [4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-morpholino-methanone CAS Name: 4-morpholinyl-[4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]methanone IUPAC Name: [4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]-morpholino-methanone Formula: C26H34N8O3 MolecularWeight: 506.59996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)N6CCOCC6

Isomeric SMILES

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)N6CCOCC6

InChI

InChI=1S/C26H34N8O3/c35-26(33-12-15-36-16-13-33)32-10-8-31(9-11-32)25-29-23(27-17-21-7-4-14-37-21)22-24(30-25)34(19-28-22)18-20-5-2-1-3-6-20/h1-3,5-6,19,21H,4,7-18H2,(H,27,29,30)