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

Systemtic Name: 1-[4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazino]-3,3-dimethyl-butan-1-one Formula: C30H45N7O MolecularWeight: 519.7246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)CC(C)(C)C

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)CC(C)(C)C

InChI

InChI=1S/C30H45N7O/c1-6-8-12-23(7-2)20-31-27-26-28(37(22-32-26)21-24-13-10-9-11-14-24)34-29(33-27)36-17-15-35(16-18-36)25(38)19-30(3,4)5/h9-11,13-14,22-23H,6-8,12,15-21H2,1-5H3,(H,31,33,34)