pentyl 6-(6-bromanyl-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: pentyl 6-(6-bromanyl-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: pentyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid pentyl ester IUPAC Name: pentyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid amyl ester Formula: C19H23BrN2O5 MolecularWeight: 439.30032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2Br)OCO3)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2Br)OCO3)C)C

InChI

InChI=1S/C19H23BrN2O5/c1-4-5-6-7-25-18(23)16-11(2)22(3)19(24)21-17(16)12-8-14-15(9-13(12)20)27-10-26-14/h8-9,17H,4-7,10H2,1-3H3,(H,21,24)