6GU
Summary
Name: | 6-chloroguanine |
Synonyms: | 6-chloro-9H-purin-2-amine |
Formula: | C5 H4 Cl N5 |
Formal charge: | 0 |
Formula weight: | 169.572 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 6-chloro-9H-purin-2-amine |
OpenEye OEToolkits | 1.5.0 | 6-chloro-9H-purin-2-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2nc(nc1c2ncn1)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(Cl)c2nc[nH]c2n1 |
SMILES | CACTVS | 3.341 | Nc1nc(Cl)c2nc[nH]c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(nc(n2)N)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(nc(n2)N)Cl |
InChI | InChI | 1.03 | InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11) |
InChIKey | InChI | 1.03 | RYYIULNRIVUMTQ-UHFFFAOYSA-N |