5-bromanyl-2-but-3-enyl-4-methoxy-6-methyl-pyrimidine; 4-methylbenzenesulfonamide

Systemtic Name: 5-bromanyl-2-but-3-enyl-4-methoxy-6-methyl-pyrimidine; 4-methylbenzenesulfonamide Openeye Name: 5-bromo-2-but-3-enyl-4-methoxy-6-methyl-pyrimidine; 4-methylbenzenesulfonamide CAS Name: 5-bromo-2-but-3-enyl-4-methoxy-6-methylpyrimidine; 4-methylbenzenesulfonamide IUPAC Name: 5-bromo-2-but-3-enyl-4-methoxy-6-methylpyrimidine; 4-methylbenzenesulfonamide Traditional Name: 5-bromo-2-but-3-enyl-4-methoxy-6-methyl-pyrimidine; 4-methylbenzenesulfonamide Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N.CC1=C(C(=NC(=N1)CCC=C)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N.CC1=C(C(=NC(=N1)CCC=C)OC)Br

InChI

InChI=1S/C10H13BrN2O.C7H9NO2S/c1-4-5-6-8-12-7(2)9(11)10(13-8)14-3;1-6-2-4-7(5-3-6)11(8,9)10/h4H,1,5-6H2,2-3H3;2-5H,1H3,(H2,8,9,10)