ethyl (6S)-6-(6-bromanyl-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-6-(6-bromanyl-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H17BrN2O5 MolecularWeight: 397.22058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2Br)OCO3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC3=C(C=C2Br)OCO3)C)C

InChI

InChI=1S/C16H17BrN2O5/c1-4-22-15(20)13-8(2)19(3)16(21)18-14(13)9-5-11-12(6-10(9)17)24-7-23-11/h5-6,14H,4,7H2,1-3H3,(H,18,21)/t14-/m1/s1