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

Systemtic Name: 3-[2,6-bis(oxidanylidene)-5-propan-2-yl-3-propyl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile Openeye Name: 3-(5-isopropyl-2,6-dioxo-3-propyl-pyrimidine-4-carbonyl)-5-methyl-benzonitrile CAS Name: 3-[(2,6-dioxo-5-propan-2-yl-3-propyl-4-pyrimidinyl)-oxomethyl]-5-methylbenzonitrile IUPAC Name: 3-(2,6-dioxo-5-propan-2-yl-3-propylpyrimidine-4-carbonyl)-5-methylbenzonitrile Traditional Name: 3-(5-isopropyl-2,6-diketo-3-propyl-pyrimidine-4-carbonyl)-5-methyl-benzonitrile Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

InChI

InChI=1S/C19H21N3O3/c1-5-6-22-16(15(11(2)3)18(24)21-19(22)25)17(23)14-8-12(4)7-13(9-14)10-20/h7-9,11H,5-6H2,1-4H3,(H,21,24,25)