4'-[2-(2-methylphenyl)-7H-purin-8-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one

Systemtic Name: 4'-[2-(2-methylphenyl)-7H-purin-8-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[2-(o-tolyl)-7H-purin-8-yl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[2-(2-methylphenyl)-7H-purin-8-yl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-[2-(2-methylphenyl)-7H-purin-8-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-[2-(o-tolyl)-7H-purin-8-yl]spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=C3C(=N2)N=C(N3)C4CCC5(CC4)C6=CC=CC=C6C(=O)O5

Isomeric SMILES

CC1=CC=CC=C1C2=NC=C3C(=N2)N=C(N3)C4CCC5(CC4)C6=CC=CC=C6C(=O)O5

InChI

InChI=1S/C25H22N4O2/c1-15-6-2-3-7-17(15)22-26-14-20-23(29-22)28-21(27-20)16-10-12-25(13-11-16)19-9-5-4-8-18(19)24(30)31-25/h2-9,14,16H,10-13H2,1H3,(H,26,27,28,29)