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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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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)Br)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O5/c1-11-17(19(24)26-2)18(12-4-3-5-13(21)8-12)22-20(25)23(11)14-6-7-15-16(9-14)28-10-27-15/h3-9,18H,10H2,1-2H3,(H,22,25)