3-[[5-ethyl-2,6-bis(oxidanylidene)-3-(prop-2-enoxymethyl)pyrimidin-4-yl]-fluoranyl-methyl]benzenecarbonitrile

Systemtic Name: 3-[[5-ethyl-2,6-bis(oxidanylidene)-3-(prop-2-enoxymethyl)pyrimidin-4-yl]-fluoranyl-methyl]benzenecarbonitrile Openeye Name: 3-[[3-(allyloxymethyl)-5-ethyl-2,6-dioxo-pyrimidin-4-yl]-fluoro-methyl]benzonitrile CAS Name: 3-[[5-ethyl-2,6-dioxo-3-(prop-2-enoxymethyl)-4-pyrimidinyl]-fluoromethyl]benzonitrile IUPAC Name: 3-[[5-ethyl-2,6-dioxo-3-(prop-2-enoxymethyl)pyrimidin-4-yl]-fluoromethyl]benzonitrile Traditional Name: 3-[[3-(allyloxymethyl)-5-ethyl-2,6-diketo-pyrimidin-4-yl]-fluoro-methyl]benzonitrile Formula: C18H18FN3O3 MolecularWeight: 343.352223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)COCC=C)C(C2=CC=CC(=C2)C#N)F

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)COCC=C)C(C2=CC=CC(=C2)C#N)F

InChI

InChI=1S/C18H18FN3O3/c1-3-8-25-11-22-16(14(4-2)17(23)21-18(22)24)15(19)13-7-5-6-12(9-13)10-20/h3,5-7,9,15H,1,4,8,11H2,2H3,(H,21,23,24)