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

Systemtic Name: 4'-(2-phenyl-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-(2-phenyl-7H-purin-8-yl)spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-(2-phenyl-7H-purin-8-yl)-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-(2-phenyl-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-(2-phenyl-7H-purin-8-yl)spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C24H20N4O2 MolecularWeight: 396.4412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O2

Isomeric SMILES

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O2

InChI

InChI=1S/C24H20N4O2/c29-23-17-8-4-5-9-18(17)24(30-23)12-10-16(11-13-24)21-26-19-14-25-20(27-22(19)28-21)15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,25,26,27,28)