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

Systemtic Name: [4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazino]-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

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