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

Systemtic Name: 6-(6-butyl-1,3-dihydro-2-benzofuran-5-yl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-(6-butyl-1,3-dihydroisobenzofuran-5-yl)purine CAS Name: 6-(6-butyl-1,3-dihydroisobenzofuran-5-yl)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-(6-butyl-1,3-dihydro-2-benzofuran-5-yl)purine Traditional Name: 9-benzyl-6-(6-butylphthalan-5-yl)purine Formula: C24H24N4O MolecularWeight: 384.47356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(COC2)C=C1C3=C4C(=NC=N3)N(C=N4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC2=C(COC2)C=C1C3=C4C(=NC=N3)N(C=N4)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N4O/c1-2-3-9-18-10-19-13-29-14-20(19)11-21(18)22-23-24(26-15-25-22)28(16-27-23)12-17-7-5-4-6-8-17/h4-8,10-11,15-16H,2-3,9,12-14H2,1H3