N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-4-(2-bromanylethanoyl)benzenesulfonamide

Systemtic Name: N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-4-(2-bromanylethanoyl)benzenesulfonamide Openeye Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzenesulfonamide CAS Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-(2-bromo-1-oxoethyl)benzenesulfonamide IUPAC Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzenesulfonamide Traditional Name: N-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzenesulfonamide Formula: C16H19BrN4O4S MolecularWeight: 443.31546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNS(=O)(=O)C2=CC=C(C=C2)C(=O)CBr

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNS(=O)(=O)C2=CC=C(C=C2)C(=O)CBr

InChI

InChI=1S/C16H19BrN4O4S/c1-10-13(15(23)21-16(18)20-10)3-2-8-19-26(24,25)12-6-4-11(5-7-12)14(22)9-17/h4-7,19H,2-3,8-9H2,1H3,(H3,18,20,21,23)