2-chloranyl-N-methyl-9-[4-phenylmethoxy-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine

Systemtic Name: 2-chloranyl-N-methyl-9-[4-phenylmethoxy-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine Openeye Name: 9-[4-benzyloxy-5-(benzyloxymethyl)-2-bicyclo[3.1.0]hexanyl]-2-chloro-N-methyl-purin-6-amine CAS Name: 2-chloro-N-methyl-9-[4-phenylmethoxy-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]-6-purinamine IUPAC Name: 2-chloro-N-methyl-9-[4-phenylmethoxy-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine Traditional Name: [9-[4-benzoxy-5-(benzoxymethyl)-2-bicyclo[3.1.0]hexanyl]-2-chloro-purin-6-yl]-methyl-amine Formula: C27H28ClN5O2 MolecularWeight: 489.99652

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3CC(C4(C3C4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3CC(C4(C3C4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)Cl

InChI

InChI=1S/C27H28ClN5O2/c1-29-24-23-25(32-26(28)31-24)33(17-30-23)21-12-22(35-15-19-10-6-3-7-11-19)27(13-20(21)27)16-34-14-18-8-4-2-5-9-18/h2-11,17,20-22H,12-16H2,1H3,(H,29,31,32)