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

Systemtic Name: 3-[3-(ethoxymethyl)-5-ethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[3-(ethoxymethyl)-5-ethyl-2,6-dioxo-pyrimidine-4-carbonyl]benzonitrile CAS Name: 3-[[3-(ethoxymethyl)-5-ethyl-2,6-dioxo-4-pyrimidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[3-(ethoxymethyl)-5-ethyl-2,6-dioxopyrimidine-4-carbonyl]benzonitrile Traditional Name: 3-[3-(ethoxymethyl)-5-ethyl-2,6-diketo-pyrimidine-4-carbonyl]benzonitrile Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c1-3-13-14(15(21)12-7-5-6-11(8-12)9-18)20(10-24-4-2)17(23)19-16(13)22/h5-8H,3-4,10H2,1-2H3,(H,19,22,23)