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

Systemtic Name: 3-[3-but-2-ynyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile Openeye Name: 3-(3-but-2-ynyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)-5-methyl-benzonitrile CAS Name: 3-[(3-but-2-ynyl-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl)-oxomethyl]-5-methylbenzonitrile IUPAC Name: 3-(3-but-2-ynyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-methylbenzonitrile Traditional Name: 3-(3-but-2-ynyl-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl)-5-methyl-benzonitrile Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

Isomeric SMILES

CC#CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

InChI

InChI=1S/C20H19N3O3/c1-5-6-7-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-9-13(4)8-14(10-15)11-21/h8-10,12H,7H2,1-4H3,(H,22,25,26)