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

Systemtic Name: heptyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C

InChI

InChI=1S/C20H25BrN2O5/c1-3-4-5-6-7-8-26-19(24)17-12(2)22-20(25)23-18(17)13-9-15-16(10-14(13)21)28-11-27-15/h9-10,18H,3-8,11H2,1-2H3,(H2,22,23,25)