GT3
Summary
| Name: | 2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[(2R,3R)-1,3-bis(oxidanyl)butan-2-yl]ethanamide |
| Formula: | C11 H16 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 296.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-~{N}-[(2~{R},3~{R})-1,3-bis(oxidanyl)butan-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H16N6O4/c1-5(19)6(3-18)14-7(20)2-17-4-13-8-9(17)15-11(12)16-10(8)21/h4-6,18-19H,2-3H2,1H3,(H,14,20)(H3,12,15,16,21)/t5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | ASZZNRVPFUUWEN-PHDIDXHHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@@H](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O |
