6-(6-butyl-1,3-dihydro-2-benzofuran-5-yl)-9-(oxan-2-yl)purine

Systemtic Name: 6-(6-butyl-1,3-dihydro-2-benzofuran-5-yl)-9-(oxan-2-yl)purine Openeye Name: 6-(6-butyl-1,3-dihydroisobenzofuran-5-yl)-9-tetrahydropyran-2-yl-purine CAS Name: 6-(6-butyl-1,3-dihydroisobenzofuran-5-yl)-9-(2-oxanyl)purine IUPAC Name: 6-(6-butyl-1,3-dihydro-2-benzofuran-5-yl)-9-(oxan-2-yl)purine Traditional Name: 6-(6-butylphthalan-5-yl)-9-tetrahydropyran-2-yl-purine Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(COC2)C=C1C3=C4C(=NC=N3)N(C=N4)C5CCCCO5

Isomeric SMILES

CCCCC1=CC2=C(COC2)C=C1C3=C4C(=NC=N3)N(C=N4)C5CCCCO5

InChI

InChI=1S/C22H26N4O2/c1-2-3-6-15-9-16-11-27-12-17(16)10-18(15)20-21-22(24-13-23-20)26(14-25-21)19-7-4-5-8-28-19/h9-10,13-14,19H,2-8,11-12H2,1H3