3-methyl-5-[3-(3-methylbut-3-enyl)-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-benzenecarbonitrile

Systemtic Name: 3-methyl-5-[3-(3-methylbut-3-enyl)-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-[5-isopropyl-3-(3-methylbut-3-enyl)-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile CAS Name: 3-methyl-5-[[3-(3-methylbut-3-enyl)-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-methyl-5-[3-(3-methylbut-3-enyl)-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]benzonitrile Traditional Name: 3-[5-isopropyl-2,6-diketo-3-(3-methylbut-3-enyl)pyrimidine-4-carbonyl]-5-methyl-benzonitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CCC(=C)C)C(C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CCC(=C)C)C(C)C)C#N

InChI

InChI=1S/C21H23N3O3/c1-12(2)6-7-24-18(17(13(3)4)20(26)23-21(24)27)19(25)16-9-14(5)8-15(10-16)11-22/h8-10,13H,1,6-7H2,2-5H3,(H,23,26,27)