IGA
Summary
| Name: | 6-amino-3,7-dihydro-2H-purin-2-one |
| Synonyms: | Isoguanine |
| Formula: | C5 H5 N5 O |
| Formal charge: | 0 |
| Formula weight: | 151.126 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-3,7-dihydro-2H-purin-2-one |
| OpenEye OEToolkits | 1.7.2 | 6-azanyl-3,7-dihydropurin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N=C(c1c(ncn1)N2)N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)Nc2nc[nH]c12 |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)Nc2nc[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1[nH]c2c(n1)NC(=O)N=C2N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1[nH]c2c(n1)NC(=O)N=C2N |
| InChI | InChI | 1.03 | InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | DRAVOWXCEBXPTN-UHFFFAOYSA-N |
