3-[[6-(3-cyanophenyl)carbonyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[6-(3-cyanophenyl)carbonyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[6-(3-cyanobenzoyl)-5-ethyl-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[6-[(3-cyanophenyl)-oxomethyl]-5-ethyl-2,4-dioxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 3-[[6-(3-cyanobenzoyl)-5-ethyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[6-(3-cyanobenzoyl)-5-ethyl-2,4-diketo-pyrimidin-1-yl]methyl]benzonitrile Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC2=CC=CC(=C2)C#N)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CC2=CC=CC(=C2)C#N)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H16N4O3/c1-2-18-19(20(27)17-8-4-6-15(10-17)12-24)26(22(29)25-21(18)28)13-16-7-3-5-14(9-16)11-23/h3-10H,2,13H2,1H3,(H,25,28,29)