4-(4-aminophenyl)sulfonylaniline; 5-[(4-bromanyl-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(4-bromanyl-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(4-bromo-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-bromo-3,5-dimethoxy-benzyl)pyrimidin-4-yl]amine; (4-sulfanilylphenyl)amine Formula: C25H27BrN6O4S MolecularWeight: 587.48868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)CC2=CN=C(N=C2N)N.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)CC2=CN=C(N=C2N)N.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H15BrN4O2.C12H12N2O2S/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h4-6H,3H2,1-2H3,(H4,15,16,17,18);1-8H,13-14H2