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

Systemtic Name: pentyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C18H21BrN2O5 MolecularWeight: 425.27374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O5/c1-3-4-5-6-24-17(22)15-10(2)20-18(23)21-16(15)11-7-13-14(8-12(11)19)26-9-25-13/h7-8,16H,3-6,9H2,1-2H3,(H2,20,21,23)/t16-/m1/s1