4-(2-azanylethyl)benzenesulfonyl fluoride; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 4-(2-azanylethyl)benzenesulfonyl fluoride; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 4-(2-aminoethyl)benzenesulfonyl fluoride; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: 4-(2-aminoethyl)benzenesulfonyl fluoride; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine IUPAC Name: 4-(2-aminoethyl)benzenesulfonyl fluoride; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine; 4-(2-aminoethyl)benzenesulfonyl fluoride Formula: C20H23ClFN5O2S MolecularWeight: 451.945323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1=CC(=CC=C1CCN)S(=O)(=O)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1=CC(=CC=C1CCN)S(=O)(=O)F

InChI

InChI=1S/C12H13ClN4.C8H10FNO2S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;9-13(11,12)8-3-1-7(2-4-8)5-6-10/h3-6H,2H2,1H3,(H4,14,15,16,17);1-4H,5-6,10H2