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

Systemtic Name: 4'-(2-piperidin-1-yl-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[2-(1-piperidyl)-7H-purin-8-yl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[2-(1-piperidinyl)-7H-purin-8-yl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-(2-piperidin-1-yl-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-(2-piperidino-7H-purin-8-yl)spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C3C(=N2)N=C(N3)C4CCC5(CC4)C6=CC=CC=C6C(=O)O5

Isomeric SMILES

C1CCN(CC1)C2=NC=C3C(=N2)N=C(N3)C4CCC5(CC4)C6=CC=CC=C6C(=O)O5

InChI

InChI=1S/C23H25N5O2/c29-21-16-6-2-3-7-17(16)23(30-21)10-8-15(9-11-23)19-25-18-14-24-22(27-20(18)26-19)28-12-4-1-5-13-28/h2-3,6-7,14-15H,1,4-5,8-13H2,(H,24,25,26,27)