OYD

6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione

Created:2019-07-18
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count39
Aromatic Bond Count0
2D diagram of OYD

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Chemical Component Summary

Name6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)6-(5-oxidanylpentylamino)-5-[(~{E})-propylideneamino]-1~{H}-pyrimidine-2,4-dione
FormulaC12 H20 N4 O3
Molecular Weight268.312
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C=1(NCCCCCO)NC(NC(C=1N=[C@H]CC)=O)=O
SMILESCACTVS3.385CCC=NC1=C(NCCCCCO)NC(=O)NC1=O
SMILESOpenEye OEToolkits2.0.7CCC=NC1=C(NC(=O)NC1=O)NCCCCCO
Canonical SMILESCACTVS3.385 CCC=NC1=C(NCCCCCO)NC(=O)NC1=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO
InChIInChI1.03 InChI=1S/C12H20N4O3/c1-2-6-13-9-10(14-7-4-3-5-8-17)15-12(19)16-11(9)18/h6,17H,2-5,7-8H2,1H3,(H3,14,15,16,18,19)/b13-6+
InChIKeyInChI1.03 ZKFUQHLXTDAXLG-AWNIVKPZSA-N