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

Systemtic Name: 4'-(2-chloranyl-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-(2-chloro-7H-purin-8-yl)spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-(2-chloro-7H-purin-8-yl)-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-(2-chloro-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-(2-chloro-7H-purin-8-yl)spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)Cl)C5=CC=CC=C5C(=O)O2

Isomeric SMILES

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)Cl)C5=CC=CC=C5C(=O)O2

InChI

InChI=1S/C18H15ClN4O2/c19-17-20-9-13-15(23-17)22-14(21-13)10-5-7-18(8-6-10)12-4-2-1-3-11(12)16(24)25-18/h1-4,9-10H,5-8H2,(H,20,21,22,23)