3,3-dimethylbutan-2-yl 4-(3-cyano-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3,3-dimethylbutan-2-yl 4-(3-cyano-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1,2,2-trimethylpropyl 4-(3-cyano-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-cyano-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3,3-dimethylbutan-2-yl ester IUPAC Name: 3,3-dimethylbutan-2-yl 4-(3-cyano-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-cyano-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,2,2-trimethylpropyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)C#N)O)OC)C(=O)OC(C)C(C)(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)C#N)O)OC)C(=O)OC(C)C(C)(C)C

InChI

InChI=1S/C20H25N3O5/c1-10-15(18(25)28-11(2)20(3,4)5)16(23-19(26)22-10)12-7-13(9-21)17(24)14(8-12)27-6/h7-8,11,16,24H,1-6H3,(H2,22,23,26)