9DG
Summary
| Name: | 9-DEAZAGUANINE |
| Formula: | C6 H6 N4 O |
| Formal charge: | 0 |
| Formula weight: | 150.138 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-3,5-dihydropyrrolo[2,3-e]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(N=C(N1)N)ccn2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2cc[nH]c2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2cc[nH]c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11) |
| InChIKey | InChI | 1.03 | FFYPRJYSJODFFD-UHFFFAOYSA-N |
