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

Systemtic Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine CAS Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: (2-amino-5-veratryl-pyrimidin-4-yl)amine; (4-sulfanilylphenyl)amine Formula: C25H28N6O4S MolecularWeight: 508.59262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2.C12H12N2O2S/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17);1-8H,13-14H2