A1JNG
Summary
| Name: | 1-[2-[4-(4-oxidanylidene-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-1,2,3-triazol-1-yl]ethyl]guanidine |
| Formula: | C11 H13 N9 O |
| Formal charge: | 0 |
| Formula weight: | 287.281 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-[4-(4-oxidanylidene-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-1,2,3-triazol-1-yl]ethyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13N9O/c12-11(13)14-1-2-20-4-7(18-19-20)6-3-15-9-8(6)10(21)17-5-16-9/h3-5H,1-2H2,(H4,12,13,14)(H2,15,16,17,21) |
| InChIKey | InChI | 1.06 | XNDGGOMEAZTNJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCn1cc(nn1)c2c[nH]c3N=CNC(=O)c23 |
| SMILES | CACTVS | 3.385 | NC(=N)NCCn1cc(nn1)c2c[nH]c3N=CNC(=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NCCn1cc(nn1)c2c[nH]c3c2C(=O)NC=N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c2c([nH]1)N=CNC2=O)c3cn(nn3)CCNC(=N)N |
