HNG
Summary
| Name: | 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| Synonyms: | PreQ1 |
| Formula: | C7 H9 N5 O |
| Formal charge: | 0 |
| Formula weight: | 179.179 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| OpenEye OEToolkits | 2.0.6 | 5-(aminomethyl)-2-azanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2=C(Nc1ncc(c1C2=O)CN)N |
| InChI | InChI | 1.03 | InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13) |
| InChIKey | InChI | 1.03 | MEYMBLGOKYDGLZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1c[nH]c2NC(=NC(=O)c12)N |
| SMILES | CACTVS | 3.385 | NCc1c[nH]c2NC(=NC(=O)c12)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(c2c([nH]1)NC(=NC2=O)N)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(c2c([nH]1)NC(=NC2=O)N)CN |
