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

Systemtic Name: 3-[[3-(ethoxymethyl)-5-ethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-fluoranyl-methyl]benzenecarbonitrile Openeye Name: 3-[[3-(ethoxymethyl)-5-ethyl-2,6-dioxo-pyrimidin-4-yl]-fluoro-methyl]benzonitrile CAS Name: 3-[[3-(ethoxymethyl)-5-ethyl-2,6-dioxo-4-pyrimidinyl]-fluoromethyl]benzonitrile IUPAC Name: 3-[[3-(ethoxymethyl)-5-ethyl-2,6-dioxopyrimidin-4-yl]-fluoromethyl]benzonitrile Traditional Name: 3-[[3-(ethoxymethyl)-5-ethyl-2,6-diketo-pyrimidin-4-yl]-fluoro-methyl]benzonitrile Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O3/c1-3-13-15(14(18)12-7-5-6-11(8-12)9-19)21(10-24-4-2)17(23)20-16(13)22/h5-8,14H,3-4,10H2,1-2H3,(H,20,22,23)