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

Systemtic Name: cyclopentyl (6S)-6-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: cyclopentyl (6S)-6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (6S)-6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid cyclopentyl ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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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)OC3CCCC3)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C(=C(N(C(=O)N2)C)C)C(=O)OC3CCCC3)Br)O

InChI

InChI=1S/C20H25BrN2O5/c1-4-27-15-10-12(9-14(21)18(15)24)17-16(11(2)23(3)20(26)22-17)19(25)28-13-7-5-6-8-13/h9-10,13,17,24H,4-8H2,1-3H3,(H,22,26)/t17-/m0/s1