1-[4-(diphenylmethyl)-1,4-diazepan-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol

Systemtic Name: 1-[4-(diphenylmethyl)-1,4-diazepan-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Openeye Name: 1-(4-benzhydryl-1,4-diazepan-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1,4-diazepan-1-yl]-3-[6-(1-pyrrolyl)-9-purinyl]-2-propanol IUPAC Name: 1-(4-benzhydryl-1,4-diazepan-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Traditional Name: 1-(4-benzhydryl-1,4-diazepan-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Formula: C30H33N7O MolecularWeight: 507.62932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)CC(CN4C=NC5=C4N=CN=C5N6C=CC=C6)O

Isomeric SMILES

C1CN(CCN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)CC(CN4C=NC5=C4N=CN=C5N6C=CC=C6)O

InChI

InChI=1S/C30H33N7O/c38-26(21-37-23-33-27-29(31-22-32-30(27)37)36-15-7-8-16-36)20-34-14-9-17-35(19-18-34)28(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-8,10-13,15-16,22-23,26,28,38H,9,14,17-21H2