NDM
Summary
| Name: | 7,9-DIMETHYLGUANINE |
| Formula: | C7 H14 N5 O |
| Formal charge: | 1 |
| Formula weight: | 184.219 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,6S)-2-amino-6-hydroxy-7,9-dimethyl-2,3,6,9-tetrahydro-1H-purin-7-ium |
| OpenEye OEToolkits | 1.5.0 | 2-amino-7,9-dimethyl-1,2,3,6-tetrahydropurin-7-ium-6-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC2c1[n+](cn(c1NC(N)N2)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1c[n+](C)c2[C@H](O)N[C@H](N)Nc12 |
| SMILES | CACTVS | 3.341 | Cn1c[n+](C)c2[CH](O)N[CH](N)Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1c[n+](c2c1NC(NC2O)N)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1c[n+](c2c1NC(NC2O)N)C |
| InChI | InChI | 1.03 | InChI=1S/C7H14N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3,6-7,9-10,13H,8H2,1-2H3/q+1/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | UCYXILDOFXGENE-NKWVEPMBSA-N |
