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

Systemtic Name: N-[3-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl-(4-methylphenyl)sulfonyl-amino]propyl]-2-bromanyl-ethanamide Openeye Name: N-[3-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(p-tolylsulfonyl)amino]propyl]-2-bromo-acetamide CAS Name: N-[3-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(4-methylphenyl)sulfonylamino]propyl]-2-bromoacetamide IUPAC Name: N-[3-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(4-methylphenyl)sulfonylamino]propyl]-2-bromoacetamide Traditional Name: N-[3-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl-tosyl-amino]propyl]-2-bromo-acetamide Formula: C20H28BrN5O4S MolecularWeight: 514.43642

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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)CCCNC(=O)CBr

Isomeric SMILES

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

InChI

InChI=1S/C20H28BrN5O4S/c1-14-6-8-16(9-7-14)31(29,30)26(12-4-10-23-18(27)13-21)11-3-5-17-15(2)24-20(22)25-19(17)28/h6-9H,3-5,10-13H2,1-2H3,(H,23,27)(H3,22,24,25,28)