3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]purin-2-yl]phenol

Systemtic Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]purin-2-yl]phenol Openeye Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-imidazol-5-ylmethyl)-4-piperidyl]purin-2-yl]phenol CAS Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-imidazol-5-ylmethyl)-4-piperidinyl]-2-purinyl]phenol IUPAC Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]purin-2-yl]phenol Traditional Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-imidazol-5-ylmethyl)-4-piperidyl]purin-2-yl]phenol Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=C(N=C(N=C32)C4=CC(=CC=C4)O)C5=CCOCC5)CC6=CN=CN6

Isomeric SMILES

C1CN(CCC1N2C=NC3=C(N=C(N=C32)C4=CC(=CC=C4)O)C5=CCOCC5)CC6=CN=CN6

InChI

InChI=1S/C25H27N7O2/c33-21-3-1-2-18(12-21)24-29-22(17-6-10-34-11-7-17)23-25(30-24)32(16-28-23)20-4-8-31(9-5-20)14-19-13-26-15-27-19/h1-3,6,12-13,15-16,20,33H,4-5,7-11,14H2,(H,26,27)