3,3-dimethyl-1-[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]-3,3-dimethyl-butan-1-one Formula: C27H37N7O2 MolecularWeight: 491.62838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4CCCO4)N=CN3CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4CCCO4)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C27H37N7O2/c1-27(2,3)16-22(35)32-11-13-33(14-12-32)26-30-24(28-17-21-10-7-15-36-21)23-25(31-26)34(19-29-23)18-20-8-5-4-6-9-20/h4-6,8-9,19,21H,7,10-18H2,1-3H3,(H,28,30,31)