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

Systemtic Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine CAS Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4-yl]amine; (4-sulfanilylphenyl)amine Formula: C26H30N6O5S MolecularWeight: 538.6186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)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(=C1OC)OC)CC2=CN=C(N=C2N)N.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H18N4O3.C12H12N2O2S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h5-7H,4H2,1-3H3,(H4,15,16,17,18);1-8H,13-14H2