ZG4
Summary
Name: | N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide |
Formula: | C21 H22 N6 O4 S2 |
Formal charge: | 0 |
Formula weight: | 486.567 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1nc(cs1)C1(NC(=O)c2ccc(cn2)c2cncc(OCC)n2)CC1)C1CC1 |
InChI | InChI | 1.03 | InChI=1S/C21H22N6O4S2/c1-2-31-18-11-22-10-16(24-18)13-3-6-15(23-9-13)19(28)26-21(7-8-21)17-12-32-20(25-17)27-33(29,30)14-4-5-14/h3,6,9-12,14H,2,4-5,7-8H2,1H3,(H,25,27)(H,26,28) |
InChIKey | InChI | 1.03 | VIXAYXSBOOBUNP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(N[S](=O)(=O)C5CC5)n4 |
SMILES | CACTVS | 3.385 | CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(N[S](=O)(=O)C5CC5)n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(n4)NS(=O)(=O)C5CC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(n4)NS(=O)(=O)C5CC5 |