phenethyl 6-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: phenethyl 6-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester Formula: C23H25BrN2O5 MolecularWeight: 489.359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCCC3=CC=CC=C3)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCCC3=CC=CC=C3)Br)O

InChI

InChI=1S/C23H25BrN2O5/c1-4-30-18-13-16(12-17(24)21(18)27)20-19(14(2)26(3)23(29)25-20)22(28)31-11-10-15-8-6-5-7-9-15/h5-9,12-13,20,27H,4,10-11H2,1-3H3,(H,25,29)