GUU
3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide
Created: | 2022-01-03 |
Last modified: | 2022-02-09 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 57 |
Chiral Atom Count | 0 |
Bond Count | 58 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide |
Systematic Name (OpenEye OEToolkits) | 3-[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]-~{N}-methylsulfonyl-propanamide |
Formula | C19 H27 N5 O5 S |
Molecular Weight | 437.513 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(C)(=O)=O |
SMILES | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S](C)(=O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C |
Canonical SMILES | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S](C)(=O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C19H27N5O5S/c1-3-14-17(18(20)23-19(21)22-14)29-12-6-11-28-15-8-5-4-7-13(15)9-10-16(25)24-30(2,26)27/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23) |
InChIKey | InChI | 1.03 | OWLQKSDLILILFX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 162540395 |