PQ0
Summary
| Name: | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE |
| Synonyms: | 7-DEAZA-7-CYANO-GUANINE |
| Formula: | C7 H5 N5 O |
| Formal charge: | 0 |
| Formula weight: | 175.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| OpenEye OEToolkits | 1.5.0 | 2-amino-4-oxo-3,7-dihydropyrrolo[5,4-d]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc1cnc2N=C(NC(=O)c12)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2[nH]cc(C#N)c2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2[nH]cc(C#N)c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c2c([nH]1)N=C(NC2=O)N)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c2c([nH]1)N=C(NC2=O)N)C#N |
| InChI | InChI | 1.03 | InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13) |
| InChIKey | InChI | 1.03 | FMKSMYDYKXQYRV-UHFFFAOYSA-N |
