4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-N-(4-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C32H42N8O2 MolecularWeight: 570.72828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)OC

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)OC

InChI

InChI=1S/C32H42N8O2/c1-4-6-10-24(5-2)21-33-29-28-30(40(23-34-28)22-25-11-8-7-9-12-25)37-31(36-29)38-17-19-39(20-18-38)32(41)35-26-13-15-27(42-3)16-14-26/h7-9,11-16,23-24H,4-6,10,17-22H2,1-3H3,(H,35,41)(H,33,36,37)