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

Systemtic Name: propan-2-yl (6S)-3-(1,3-benzodioxol-5-yl)-6-(3-fluorophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6S)-3-(1,3-benzodioxol-5-yl)-6-(3-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(1,3-benzodioxol-5-yl)-6-(3-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-3-(1,3-benzodioxol-5-yl)-6-(3-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(1,3-benzodioxol-5-yl)-6-(3-fluorophenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C22H21FN2O5 MolecularWeight: 412.410943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O5/c1-12(2)30-21(26)19-13(3)25(16-7-8-17-18(10-16)29-11-28-17)22(27)24-20(19)14-5-4-6-15(23)9-14/h4-10,12,20H,11H2,1-3H3,(H,24,27)/t20-/m0/s1