1,3-benzodioxol-5-ylmethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid piperonyl ester Formula: C21H17BrN2O7 MolecularWeight: 489.27288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17BrN2O7/c1-10-18(20(25)27-7-11-2-3-14-15(4-11)29-8-28-14)19(24-21(26)23-10)12-5-16-17(6-13(12)22)31-9-30-16/h2-6,19H,7-9H2,1H3,(H2,23,24,26)