2-methoxyethyl (6S)-3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (6S)-3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H21FN2O6 MolecularWeight: 428.410343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F)C(=O)OCCOC

InChI

InChI=1S/C22H21FN2O6/c1-13-19(21(26)29-10-9-28-2)20(14-3-5-15(23)6-4-14)24-22(27)25(13)16-7-8-17-18(11-16)31-12-30-17/h3-8,11,20H,9-10,12H2,1-2H3,(H,24,27)/t20-/m0/s1