9X9
Summary
| Name: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide |
| Formula: | C11 H13 N9 O2 |
| Formal charge: | 0 |
| Formula weight: | 303.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3,5-bis(azanyl)-~{N}-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13N9O2/c1-22-11-16-2-4(3-17-11)5-7(12)19-8(13)6(18-5)9(21)20-10(14)15/h2-3H,1H3,(H4,12,13,19)(H4,14,15,20,21) |
| InChIKey | InChI | 1.03 | XFGYFQDKMRBURI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N |
| SMILES | CACTVS | 3.385 | COc1ncc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ncc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N |
