4-(4-aminophenyl)sulfonylaniline; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 4-(4-aminophenyl)sulfonylaniline; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 4-(4-aminophenyl)sulfonylaniline; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: 4-(4-aminophenyl)sulfonylaniline; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine IUPAC Name: 4-(4-aminophenyl)sulfonylaniline; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine; (4-sulfanilylphenyl)amine Formula: C24H25ClN6O2S MolecularWeight: 497.0123

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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=C1N)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H13ClN4.C12H12N2O2S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h3-6H,2H2,1H3,(H4,14,15,16,17);1-8H,13-14H2