3-[6-[4-(diphenylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-[4-(diphenylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-(4-benzhydrylpiperazin-1-yl)purin-9-yl]propane-1,2-diol CAS Name: 3-[6-[4-(diphenylmethyl)-1-piperazinyl]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-(4-benzhydrylpiperazin-1-yl)purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-(4-benzhydrylpiperazino)purin-9-yl]propane-1,2-diol Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2N=CN3CC(CO)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2N=CN3CC(CO)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2/c32-16-21(33)15-31-18-28-22-24(26-17-27-25(22)31)30-13-11-29(12-14-30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,21,23,32-33H,11-16H2