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

Formal Charge0
Atom Count57
Chiral Atom Count0
Bond Count58
Aromatic Bond Count12
2D diagram of GUU

Chemical Component Summary

Name3-(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
FormulaC19 H27 N5 O5 S
Molecular Weight437.513
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(C)(=O)=O
SMILESCACTVS3.385CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S](C)(=O)=O
SMILESOpenEye OEToolkits2.0.7CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C
Canonical SMILESCACTVS3.385 CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S](C)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C
InChIInChI1.03 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)
InChIKeyInChI1.03 OWLQKSDLILILFX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 162540395