methyl 2-[4-[[2-(2-bromanylpropanoylamino)-6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[2-(2-bromanylpropanoylamino)-6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-(2-bromopropanoylamino)-6-butyl-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-[(2-bromo-1-oxopropyl)amino]-6-butyl-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-(2-bromopropanoylamino)-6-butyl-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-(2-bromopropanoylamino)-6-butyl-4-keto-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester Formula: C26H28BrN3O4 MolecularWeight: 526.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)NC(=O)C(C)Br)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)NC(=O)C(C)Br)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C26H28BrN3O4/c1-4-5-10-22-21(24(32)30-26(28-22)29-23(31)16(2)27)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)25(33)34-3/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H2,28,29,30,31,32)