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

Systemtic Name: 4'-(2-thiophen-2-yl-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[2-(2-thienyl)-7H-purin-8-yl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-(2-thiophen-2-yl-7H-purin-8-yl)-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-(2-thiophen-2-yl-7H-purin-8-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-[2-(2-thienyl)-7H-purin-8-yl]spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)C5=CC=CS5)C6=CC=CC=C6C(=O)O2

Isomeric SMILES

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)C5=CC=CS5)C6=CC=CC=C6C(=O)O2

InChI

InChI=1S/C22H18N4O2S/c27-21-14-4-1-2-5-15(14)22(28-21)9-7-13(8-10-22)18-24-16-12-23-20(26-19(16)25-18)17-6-3-11-29-17/h1-6,11-13H,7-10H2,(H,23,24,25,26)