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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=NC=N2)N(C=N1)CC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CCN(CC)C1=C2C(=NC=N2)N(C=N1)CC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H37N7O/c1-3-34(4-2)29-26-28(31-21-30-26)36(22-32-29)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