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

Systemtic Name: 1-[6-(diethylamino)purin-9-yl]-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(diethylamino)purin-9-yl]propan-2-ol CAS Name: 1-[6-(diethylamino)-9-purinyl]-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(diethylamino)purin-9-yl]propan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-[6-(diethylamino)purin-9-yl]propan-2-ol Formula: C29H37N7O MolecularWeight: 499.65038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N7O/c1-3-34(4-2)28-26-29(31-21-30-28)36(22-32-26)20-25(37)19-33-15-17-35(18-16-33)27(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25,27,37H,3-4,15-20H2,1-2H3