3-cyclopentyl-1-[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 3-cyclopentyl-1-[4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]-3-cyclopentyl-propan-1-one Formula: C29H39N7O2 MolecularWeight: 517.66566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5CCCO5)N=CN4CC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5CCCO5)N=CN4CC6=CC=CC=C6

InChI

InChI=1S/C29H39N7O2/c37-25(13-12-22-7-4-5-8-22)34-14-16-35(17-15-34)29-32-27(30-19-24-11-6-18-38-24)26-28(33-29)36(21-31-26)20-23-9-2-1-3-10-23/h1-3,9-10,21-22,24H,4-8,11-20H2,(H,30,32,33)