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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C3C(=N2)N=C(N3)C4CCC5(CC4)C6=CC=CC=C6C(=O)O5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C3C(=N2)N=C(N3)C4CCC5(CC4)C6=CC=CC=C6C(=O)O5

InChI

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