1-[4-(diphenylmethylidene)piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol

Systemtic Name: 1-[4-(diphenylmethylidene)piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Openeye Name: 1-(4-benzhydrylidene-1-piperidyl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol CAS Name: 1-[4-(diphenylmethylene)-1-piperidinyl]-3-[6-(1-pyrrolyl)-9-purinyl]-2-propanol IUPAC Name: 1-(4-benzhydrylidenepiperidin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Traditional Name: 1-(4-benzhydrylidenepiperidino)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Formula: C30H30N6O MolecularWeight: 490.5988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CC=C3)CC(CN4C=NC5=C4N=CN=C5N6C=CC=C6)O

Isomeric SMILES

C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CC=C3)CC(CN4C=NC5=C4N=CN=C5N6C=CC=C6)O

InChI

InChI=1S/C30H30N6O/c37-26(20-36-22-33-28-29(31-21-32-30(28)36)35-15-7-8-16-35)19-34-17-13-25(14-18-34)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-12,15-16,21-22,26,37H,13-14,17-20H2