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

Systemtic Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]methanone Openeye Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]methanone IUPAC Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazino]-cyclopropyl-methanone Formula: C28H39N7O MolecularWeight: 489.65556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C28H39N7O/c1-3-5-9-21(4-2)18-29-25-24-26(35(20-30-24)19-22-10-7-6-8-11-22)32-28(31-25)34-16-14-33(15-17-34)27(36)23-12-13-23/h6-8,10-11,20-21,23H,3-5,9,12-19H2,1-2H3,(H,29,31,32)