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

Systemtic Name: 4'-(2-phenyl-7H-purin-8-yl)spiro[2,4-dihydroisoquinoline-1,1'-cyclohexane]-3-one Openeye Name: 4'-(2-phenyl-7H-purin-8-yl)spiro[2,4-dihydroisoquinoline-1,1'-cyclohexane]-3-one CAS Name: 4'-(2-phenyl-7H-purin-8-yl)-3-spiro[2,4-dihydroisoquinoline-1,1'-cyclohexane]one IUPAC Name: 4'-(2-phenyl-7H-purin-8-yl)spiro[2,4-dihydroisoquinoline-1,1'-cyclohexane]-3-one Traditional Name: 4'-(2-phenyl-7H-purin-8-yl)spiro[2,4-dihydroisoquinoline-1,1'-cyclohexane]-3-one Formula: C25H23N5O MolecularWeight: 409.48302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)C5=CC=CC=C5)C6=CC=CC=C6CC(=O)N2

Isomeric SMILES

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)C5=CC=CC=C5)C6=CC=CC=C6CC(=O)N2

InChI

InChI=1S/C25H23N5O/c31-21-14-18-8-4-5-9-19(18)25(30-21)12-10-17(11-13-25)23-27-20-15-26-22(28-24(20)29-23)16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,30,31)(H,26,27,28,29)