Q7P

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

Created:2019-10-01
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count35
Aromatic Bond Count0
2D diagram of Q7P

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Chemical Component Summary

Name6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)6-(4-oxidanylbutylamino)-5-[(~{E})-2-oxidanylidenepropylideneamino]-1~{H}-pyrimidine-2,4-dione
FormulaC11 H16 N4 O4
Molecular Weight268.269
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(NC(=O)C(/N=C/C(C)=O)=C(NCCCCO)N1)=O
SMILESCACTVS3.385CC(=O)C=NC1=C(NCCCCO)NC(=O)NC1=O
SMILESOpenEye OEToolkits2.0.7CC(=O)C=NC1=C(NC(=O)NC1=O)NCCCCO
Canonical SMILESCACTVS3.385 CC(=O)C=NC1=C(NCCCCO)NC(=O)NC1=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO
InChIInChI1.03 InChI=1S/C11H16N4O4/c1-7(17)6-13-8-9(12-4-2-3-5-16)14-11(19)15-10(8)18/h6,16H,2-5H2,1H3,(H3,12,14,15,18,19)/b13-6+
InChIKeyInChI1.03 OCPAQIZKGXRILZ-AWNIVKPZSA-N