9XF
Summary
| Name: | 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide |
| Formula: | C14 H13 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 311.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-~{N}-carbamimidoyl-pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13N7O2/c15-11-9(8-5-6-3-1-2-4-7(6)23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22) |
| InChIKey | InChI | 1.03 | ZKLNPUKNSARQMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NC(=O)c1nc(c(N)nc1N)c2oc3ccccc3c2 |
| SMILES | CACTVS | 3.385 | NC(=N)NC(=O)c1nc(c(N)nc1N)c2oc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc(o2)c3c(nc(c(n3)C(=O)NC(=N)N)N)N |
