9XC
Summary
| Name: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide |
| Formula: | C12 H15 N9 O3 |
| Formal charge: | 0 |
| Formula weight: | 333.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3,5-bis(azanyl)-~{N}-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15N9O3/c1-23-10-4(3-17-12(21-10)24-2)5-7(13)19-8(14)6(18-5)9(22)20-11(15)16/h3H,1-2H3,(H4,13,14,19)(H4,15,16,20,22) |
| InChIKey | InChI | 1.03 | CDFUEJXDMOJTBY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(c(OC)n1)c2nc(c(N)nc2N)C(=O)NC(N)=N |
| SMILES | CACTVS | 3.385 | COc1ncc(c(OC)n1)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(nc2OC)OC)N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1c(cnc(n1)OC)c2c(nc(c(n2)C(=O)NC(=N)N)N)N |
