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

Systemtic Name: N-[9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purin-6-yl]-N-ethanoyl-ethanamide Openeye Name: N-acetyl-N-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]purin-6-yl]acetamide CAS Name: N-acetyl-N-[9-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]-6-purinyl]acetamide IUPAC Name: N-acetyl-N-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]purin-6-yl]acetamide Traditional Name: N-acetyl-N-[9-[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]purin-6-yl]acetamide Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=NC=NC2=C1N=CN2CC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O)C(=O)C

Isomeric SMILES

CC(=O)N(C1=NC=NC2=C1N=CN2CC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O)C(=O)C

InChI

InChI=1S/C29H33N7O3/c1-21(37)36(22(2)38)29-26-28(30-19-31-29)35(20-32-26)18-25(39)17-33-13-15-34(16-14-33)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,19-20,25,27,39H,13-18H2,1-2H3