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

Systemtic Name: ethyl 4-[6-[(3-cyano-5-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]butanoate Openeye Name: ethyl 4-[6-(3-cyano-5-methyl-anilino)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]butanoate CAS Name: 4-[6-(3-cyano-5-methylanilino)-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[6-(3-cyano-5-methylanilino)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]butanoate Traditional Name: 4-[6-(3-cyano-5-methyl-anilino)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]butyric acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=C(C(=O)NC1=O)C(C)C)NC2=CC(=CC(=C2)C)C#N

Isomeric SMILES

CCOC(=O)CCCN1C(=C(C(=O)NC1=O)C(C)C)NC2=CC(=CC(=C2)C)C#N

InChI

InChI=1S/C21H26N4O4/c1-5-29-17(26)7-6-8-25-19(18(13(2)3)20(27)24-21(25)28)23-16-10-14(4)9-15(11-16)12-22/h9-11,13,23H,5-8H2,1-4H3,(H,24,27,28)