heptyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: heptyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: heptyl (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid heptyl ester IUPAC Name: heptyl (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid heptyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)Br)O)OC)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC(=C(C(=C2)Br)O)OC)C

InChI

InChI=1S/C20H27BrN2O5/c1-4-5-6-7-8-9-28-19(25)16-12(2)22-20(26)23-17(16)13-10-14(21)18(24)15(11-13)27-3/h10-11,17,24H,4-9H2,1-3H3,(H2,22,23,26)/t17-/m0/s1