CMG
Summary
Name: | 6-O-CYCLOHEXYLMETHYL GUANINE |
Formula: | C12 H17 N5 O |
Formal charge: | 0 |
Formula weight: | 247.296 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 6-(cyclohexylmethoxy)-9H-purin-2-amine |
OpenEye OEToolkits | 1.5.0 | 6-(cyclohexylmethoxy)-9H-purin-2-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c1c(ncn1)c(nc2N)OCC3CCCCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc2[nH]cnc2c(OCC3CCCCC3)n1 |
SMILES | CACTVS | 3.341 | Nc1nc2[nH]cnc2c(OCC3CCCCC3)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17) |
InChIKey | InChI | 1.03 | MWGXGTJJAOZBNW-UHFFFAOYSA-N |