5-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(phenylmethyl)piperidin-4-yl]purin-2-yl]pyridin-3-ol

Systemtic Name: 5-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(phenylmethyl)piperidin-4-yl]purin-2-yl]pyridin-3-ol Openeye Name: 5-[9-(1-benzyl-4-piperidyl)-6-(3,6-dihydro-2H-pyran-4-yl)purin-2-yl]pyridin-3-ol CAS Name: 5-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(phenylmethyl)-4-piperidinyl]-2-purinyl]-3-pyridinol IUPAC Name: 5-[9-(1-benzylpiperidin-4-yl)-6-(3,6-dihydro-2H-pyran-4-yl)purin-2-yl]pyridin-3-ol Traditional Name: 5-[9-(1-benzyl-4-piperidyl)-6-(3,6-dihydro-2H-pyran-4-yl)purin-2-yl]pyridin-3-ol Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=C(N=C(N=C32)C4=CC(=CN=C4)O)C5=CCOCC5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1N2C=NC3=C(N=C(N=C32)C4=CC(=CN=C4)O)C5=CCOCC5)CC6=CC=CC=C6

InChI

InChI=1S/C27H28N6O2/c34-23-14-21(15-28-16-23)26-30-24(20-8-12-35-13-9-20)25-27(31-26)33(18-29-25)22-6-10-32(11-7-22)17-19-4-2-1-3-5-19/h1-5,8,14-16,18,22,34H,6-7,9-13,17H2