3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-(1-methylpiperidin-4-yl)purin-2-yl]phenol

Systemtic Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-(1-methylpiperidin-4-yl)purin-2-yl]phenol Openeye Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-(1-methyl-4-piperidyl)purin-2-yl]phenol CAS Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-(1-methyl-4-piperidinyl)-2-purinyl]phenol IUPAC Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-(1-methylpiperidin-4-yl)purin-2-yl]phenol Traditional Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-9-(1-methyl-4-piperidyl)purin-2-yl]phenol Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C=NC3=C(N=C(N=C32)C4=CC(=CC=C4)O)C5=CCOCC5

Isomeric SMILES

CN1CCC(CC1)N2C=NC3=C(N=C(N=C32)C4=CC(=CC=C4)O)C5=CCOCC5

InChI

InChI=1S/C22H25N5O2/c1-26-9-5-17(6-10-26)27-14-23-20-19(15-7-11-29-12-8-15)24-21(25-22(20)27)16-3-2-4-18(28)13-16/h2-4,7,13-14,17,28H,5-6,8-12H2,1H3