2-[6-(3-cyano-5-methyl-phenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]ethyl ethanoate

Systemtic Name: 2-[6-(3-cyano-5-methyl-phenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]ethyl ethanoate Openeye Name: 2-[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]ethyl acetate CAS Name: acetic acid 2-[6-[(3-cyano-5-methylphenyl)-oxomethyl]-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]ethyl ester IUPAC Name: 2-[6-(3-cyano-5-methylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CCOC(=O)C)C(C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CCOC(=O)C)C(C)C)C#N

InChI

InChI=1S/C20H21N3O5/c1-11(2)16-17(18(25)15-8-12(3)7-14(9-15)10-21)23(5-6-28-13(4)24)20(27)22-19(16)26/h7-9,11H,5-6H2,1-4H3,(H,22,26,27)