32I
Summary
| Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide |
| Formula: | C18 H25 N9 O3 |
| Formal charge: | 0 |
| Formula weight: | 415.45 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H25N9O3/c1-29-16-10(9-22-18(26-16)30-2)11-14(27-7-5-3-4-6-8-27)24-13(19)12(23-11)15(28)25-17(20)21/h9H,3-8H2,1-2H3,(H2,19,24)(H4,20,21,25,28) |
| InChIKey | InChI | 1.03 | GYTXWTOJZQGKDP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(c(OC)n1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N |
| SMILES | CACTVS | 3.385 | COc1ncc(c(OC)n1)c2nc(c(N)nc2N3CCCCCC3)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)N3CCCCCC3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1c(cnc(n1)OC)c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3 |
