G6W
Summary
Name: | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide |
Formula: | C14 H17 N5 O2 S |
Formal charge: | 0 |
Formula weight: | 319.382 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H17N5O2S/c1-7(20)10-11(8-4-9(15)6-17-5-8)22-13(18-10)19-12(21)14(2,3)16/h4-6H,15-16H2,1-3H3,(H,18,19,21) |
InChIKey | InChI | 1.03 | FSRJGJACTVPIED-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1nc(NC(=O)C(C)(C)N)sc1c2cncc(N)c2 |
SMILES | CACTVS | 3.385 | CC(=O)c1nc(NC(=O)C(C)(C)N)sc1c2cncc(N)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N |