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

Systemtic Name: methyl 2-[4-[[2-(2-bromanylethanoylamino)-4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-[(2-bromoacetyl)amino]-4-oxo-6-propyl-1H-pyrimidin-5-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-[(2-bromo-1-oxoethyl)amino]-4-oxo-6-propyl-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-[(2-bromoacetyl)amino]-4-oxo-6-propyl-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-[(2-bromoacetyl)amino]-4-keto-6-propyl-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester Formula: C24H24BrN3O4 MolecularWeight: 498.36906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)NC(=O)CBr)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)NC(=O)CBr)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H24BrN3O4/c1-3-6-20-19(22(30)28-24(26-20)27-21(29)14-25)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)23(31)32-2/h4-5,7-12H,3,6,13-14H2,1-2H3,(H2,26,27,28,29,30)