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

Systemtic Name: 1-[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]-2-phenoxy-ethanone Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)COC6=CC=CC=C6

Isomeric SMILES

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)COC6=CC=CC=C6

InChI

InChI=1S/C29H33N7O3/c37-25(20-39-23-10-5-2-6-11-23)34-13-15-35(16-14-34)29-32-27(30-18-24-12-7-17-38-24)26-28(33-29)36(21-31-26)19-22-8-3-1-4-9-22/h1-6,8-11,21,24H,7,12-20H2,(H,30,32,33)