5UY
Summary
| Name: | methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate |
| Formula: | C17 H19 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 369.378 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | PHPWNBVMNTWSJB-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]3CNCCO3 |
| SMILES | CACTVS | 3.385 | COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC[CH]3CNCCO3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COC(=O)c1cnc(cc1NC[C@H]2CNCCO2)Nc3cnc(cn3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.4 | COC(=O)c1cnc(cc1NCC2CNCCO2)Nc3cnc(cn3)C#N |
