[4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazino]-(3-pyridyl)methanone Formula: C30H38N8O MolecularWeight: 526.67572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H38N8O/c1-3-5-10-23(4-2)19-32-27-26-28(38(22-33-26)21-24-11-7-6-8-12-24)35-30(34-27)37-17-15-36(16-18-37)29(39)25-13-9-14-31-20-25/h6-9,11-14,20,22-23H,3-5,10,15-19,21H2,1-2H3,(H,32,34,35)