QY8
Summary
| Name: | 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one |
| Synonyms: | 2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
| Formula: | C6 H6 N4 O |
| Formal charge: | 0 |
| Formula weight: | 150.138 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | OLAFFPNXVJANFR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2[nH]ccc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2[nH]ccc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1C(=O)NC(=N2)N |
