J0C
Summary
| Name: | 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
| Formula: | C14 H17 N7 O |
| Formal charge: | 0 |
| Formula weight: | 299.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17N7O/c1-2-3-4-14(20-21-14)5-6-16-7-9-8-17-11-10(9)12(22)19-13(15)18-11/h1,8,16H,3-7H2,(H4,15,17,18,19,22) |
| InChIKey | InChI | 1.03 | XAJHFEIBEFHTRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)c2c(CNCCC3(CCC#C)N=N3)c[nH]c2N1 |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)c2c(CNCCC3(CCC#C)N=N3)c[nH]c2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N |
