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

Systemtic Name: 4'-[2-(2-methoxyphenyl)-7H-purin-8-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[2-(2-methoxyphenyl)-7H-purin-8-yl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[2-(2-methoxyphenyl)-7H-purin-8-yl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-[2-(2-methoxyphenyl)-7H-purin-8-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-[2-(2-methoxyphenyl)-7H-purin-8-yl]spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC=C3C(=N2)N=C(N3)C4CCC5(CC4)C6=CC=CC=C6C(=O)O5

Isomeric SMILES

COC1=CC=CC=C1C2=NC=C3C(=N2)N=C(N3)C4CCC5(CC4)C6=CC=CC=C6C(=O)O5

InChI

InChI=1S/C25H22N4O3/c1-31-20-9-5-3-7-17(20)22-26-14-19-23(29-22)28-21(27-19)15-10-12-25(13-11-15)18-8-4-2-6-16(18)24(30)32-25/h2-9,14-15H,10-13H2,1H3,(H,26,27,28,29)