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

Systemtic Name: 3-methyl-5-[3-(2-methylpropyl)-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-(3-isobutyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)-5-methyl-benzonitrile CAS Name: 3-methyl-5-[[3-(2-methylpropyl)-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-methyl-5-[3-(2-methylpropyl)-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]benzonitrile Traditional Name: 3-(3-isobutyl-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl)-5-methyl-benzonitrile Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC(C)C)C(C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC(C)C)C(C)C)C#N

InChI

InChI=1S/C20H23N3O3/c1-11(2)10-23-17(16(12(3)4)19(25)22-20(23)26)18(24)15-7-13(5)6-14(8-15)9-21/h6-8,11-12H,10H2,1-5H3,(H,22,25,26)