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

Systemtic Name: [4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-morpholino-methanone CAS Name: [4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-(4-morpholinyl)methanone IUPAC Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazino]-morpholino-methanone Formula: C29H42N8O2 MolecularWeight: 534.69618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C29H42N8O2/c1-3-5-9-23(4-2)20-30-26-25-27(37(22-31-25)21-24-10-7-6-8-11-24)33-28(32-26)34-12-14-35(15-13-34)29(38)36-16-18-39-19-17-36/h6-8,10-11,22-23H,3-5,9,12-21H2,1-2H3,(H,30,32,33)