28Y
Summary
| Name: | 3H-imidazo[2,1-b]purin-4(5H)-one |
| Synonyms: | N2,3-ethenoguanine |
| Formula: | C7 H5 N5 O |
| Formal charge: | 0 |
| Formula weight: | 175.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3H-imidazo[2,1-b]purin-4(5H)-one |
| OpenEye OEToolkits | 1.7.6 | 3,5-dihydroimidazo[2,1-b]purin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3c1c(ncn1)n2c(ncc2)N3 |
| InChI | InChI | 1.03 | InChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)12-2-1-8-7(12)11-6/h1-3H,(H,9,10)(H,8,11,13) |
| InChIKey | InChI | 1.03 | OSXKHFTZRHDUJN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2nccn2c3nc[nH]c13 |
| SMILES | CACTVS | 3.385 | O=C1Nc2nccn2c3nc[nH]c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cn-2c(n1)NC(=O)c3c2nc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cn-2c(n1)NC(=O)c3c2nc[nH]3 |
