N-[9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purin-6-yl]ethanamide

Systemtic Name: N-[9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purin-6-yl]ethanamide Openeye Name: N-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]purin-6-yl]acetamide CAS Name: N-[9-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]-6-purinyl]acetamide IUPAC Name: N-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]purin-6-yl]acetamide Traditional Name: N-[9-[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]purin-6-yl]acetamide Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=NC2=C1N=CN2CC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(=O)NC1=NC=NC2=C1N=CN2CC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H31N7O2/c1-20(35)31-26-24-27(29-18-28-26)34(19-30-24)17-23(36)16-32-12-14-33(15-13-32)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,18-19,23,25,36H,12-17H2,1H3,(H,28,29,31,35)