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

Systemtic Name: 4'-(2-morpholin-4-yl-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-(2-morpholino-7H-purin-8-yl)spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[2-(4-morpholinyl)-7H-purin-8-yl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-(2-morpholin-4-yl-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-(2-morpholino-7H-purin-8-yl)spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)N5CCOCC5)C6=CC=CC=C6C(=O)O2

Isomeric SMILES

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)N5CCOCC5)C6=CC=CC=C6C(=O)O2

InChI

InChI=1S/C22H23N5O3/c28-20-15-3-1-2-4-16(15)22(30-20)7-5-14(6-8-22)18-24-17-13-23-21(26-19(17)25-18)27-9-11-29-12-10-27/h1-4,13-14H,5-12H2,(H,23,24,25,26)