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

Systemtic Name: N-[9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purin-6-yl]benzamide Openeye Name: N-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]purin-6-yl]benzamide CAS Name: N-[9-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]-6-purinyl]benzamide IUPAC Name: N-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]purin-6-yl]benzamide Traditional Name: N-[9-[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]purin-6-yl]benzamide Formula: C32H33N7O2 MolecularWeight: 547.65012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H33N7O2/c40-27(21-39-23-35-28-30(33-22-34-31(28)39)36-32(41)26-14-8-3-9-15-26)20-37-16-18-38(19-17-37)29(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,22-23,27,29,40H,16-21H2,(H,33,34,36,41)