GD1
Summary
| Name: | 2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| Synonyms: | 7-cyano-7-deazaguanine, bound form |
| Formula: | C7 H7 N5 O |
| Formal charge: | 0 |
| Formula weight: | 177.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-5-(iminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2c(cnc2N=C(N)N1)C=[N@H] |
| InChI | InChI | 1.03 | InChI=1S/C7H7N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h1-2,8H,(H4,9,10,11,12,13)/b8-1- |
| InChIKey | InChI | 1.03 | BETPBINTBSWYLZ-QPIMQUGISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=Nc2[nH]cc(C=N)c2C(=O)N1 |
| SMILES | CACTVS | 3.370 | NC1=Nc2[nH]cc(C=N)c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(c2c([nH]1)N=C(NC2=O)N)C=N |
