Compound Summary


  Compound Information
 o6-benzylguanine

Compound Name:

o6-benzylguanine

Compound CID:

4578

Synonyms:

o6-benzylguanine

6-O-Benzylguanine

19916-73-5

6-(Benzyloxy)-7H-purin-2-amine

O(6)-Benzylguanine

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Iupac Name:

6-phenylmethoxy-7H-purin-2-amine

InChI:

InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)

InChIKey:

KRWMERLEINMZFT-UHFFFAOYSA-N

Canonical Smiles:

C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N

Isomeric Smiles:

C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N

Molecular Weight:

241.25

Molecular Formula:

C12H11N5O

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 o6-benzylguanine

Molecular Weight:

241.25

Molecular Formula:

C12H11N5O

Hydrogen Bond Donor Count:

2

Hydrogen Bond Acceptor Count:

5

Rotatable Bond Count:

3

Heavy Atom Count:

18

Complexity:

271

  Synonyms
 o6-benzylguanine

  Experimental Data
 o6-benzylguanine

  Experimental Data Visualization
 o6-benzylguanine

  Statistics Data
 o6-benzylguanine

  Statistics Data Visualization
 o6-benzylguanine