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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-[6-pyrrol-1-yl-2-(trifluoromethyl)purin-9-yl]propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[6-pyrrol-1-yl-2-(trifluoromethyl)purin-9-yl]propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[6-(1-pyrrolyl)-2-(trifluoromethyl)-9-purinyl]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[6-pyrrol-1-yl-2-(trifluoromethyl)purin-9-yl]propan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-[6-pyrrol-1-yl-2-(trifluoromethyl)purin-9-yl]propan-2-ol Formula: C30H30F3N7O MolecularWeight: 561.60071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C2N=C(N=C3N4C=CC=C4)C(F)(F)F)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C2N=C(N=C3N4C=CC=C4)C(F)(F)F)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H30F3N7O/c31-30(32,33)29-35-27(39-13-7-8-14-39)25-28(36-29)40(21-34-25)20-24(41)19-37-15-17-38(18-16-37)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,24,26,41H,15-20H2