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

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

Click to see the large picture

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)OC(C)C

Isomeric SMILES

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

InChI

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