1-[4-(diphenylmethyl)piperazin-1-yl]-3-[6-(propan-2-ylamino)purin-9-yl]propan-2-ol

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-[6-(propan-2-ylamino)purin-9-yl]propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(isopropylamino)purin-9-yl]propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[6-(propan-2-ylamino)-9-purinyl]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(propan-2-ylamino)purin-9-yl]propan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-[6-(isopropylamino)purin-9-yl]propan-2-ol Formula: C28H35N7O MolecularWeight: 485.6238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N7O/c1-21(2)32-27-25-28(30-19-29-27)35(20-31-25)18-24(36)17-33-13-15-34(16-14-33)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,19-21,24,26,36H,13-18H2,1-2H3,(H,29,30,32)