Chemical Component Summary

Name3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
Identifiers3-(2,6-dioxo-5-propan-2-yl-3-propyl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile
FormulaC19 H21 N3 O3
Molecular Weight339.388
TypeNON-POLYMER
Isomeric SMILESCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C
InChIInChI=1S/C19H21N3O3/c1-5-6-22-16(15(11(2)3)18(24)21-19(22)25)17(23)14-8-12(4)7-13(9-14)10-20/h7-9,11H,5-6H2,1-4H3,(H,21,24,25)
InChIKeyZXONPSZUOLSXSE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count47
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 25212989
ChEMBL CHEMBL1081659