N-[3-[[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]-2-bromanyl-ethanamide

Systemtic Name: N-[3-[[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]-2-bromanyl-ethanamide Openeye Name: N-[3-[[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(p-tolylsulfonyl)amino]methyl]phenyl]-2-bromo-acetamide CAS Name: N-[3-[[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]phenyl]-2-bromoacetamide IUPAC Name: N-[3-[[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]phenyl]-2-bromoacetamide Traditional Name: N-[3-[[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl-tosyl-amino]methyl]phenyl]-2-bromo-acetamide Formula: C24H28BrN5O4S MolecularWeight: 562.47922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=C(NC(=NC2=O)N)C)CC3=CC(=CC=C3)NC(=O)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=C(NC(=NC2=O)N)C)CC3=CC(=CC=C3)NC(=O)CBr

InChI

InChI=1S/C24H28BrN5O4S/c1-16-8-10-20(11-9-16)35(33,34)30(12-4-7-21-17(2)27-24(26)29-23(21)32)15-18-5-3-6-19(13-18)28-22(31)14-25/h3,5-6,8-11,13H,4,7,12,14-15H2,1-2H3,(H,28,31)(H3,26,27,29,32)