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

Systemtic Name: 3-methylbutyl (4R)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isoamyl ester Formula: C18H21BrN2O5 MolecularWeight: 425.27374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC(C)C

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC(C)C

InChI

InChI=1S/C18H21BrN2O5/c1-9(2)4-5-24-17(22)15-10(3)20-18(23)21-16(15)11-6-13-14(7-12(11)19)26-8-25-13/h6-7,9,16H,4-5,8H2,1-3H3,(H2,20,21,23)/t16-/m0/s1