[(2S)-2-methylpentyl] (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [(2S)-2-methylpentyl] (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [(2S)-2-methylpentyl] (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(2S)-2-methylpentyl] ester IUPAC Name: [(2S)-2-methylpentyl] (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(2S)-2-methylpentyl] ester Formula: C19H23BrN2O5 MolecularWeight: 439.30032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)COC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C

Isomeric SMILES

CCC[C@H](C)COC(=O)C1=C(NC(=O)N[C@@H]1C2=CC3=C(C=C2Br)OCO3)C

InChI

InChI=1S/C19H23BrN2O5/c1-4-5-10(2)8-25-18(23)16-11(3)21-19(24)22-17(16)12-6-14-15(7-13(12)20)27-9-26-14/h6-7,10,17H,4-5,8-9H2,1-3H3,(H2,21,22,24)/t10-,17+/m0/s1