4-(4-aminophenyl)sulfonylaniline; 5-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 4-(4-aminophenyl)sulfonylaniline; 5-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 4-(4-aminophenyl)sulfonylaniline; 5-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)pyrimidin-4-yl]amine; (4-sulfanilylphenyl)amine Formula: C31H35N7O4S MolecularWeight: 601.7191

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CC3=CN=C(N=C3N)N.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CC3=CN=C(N=C3N)N.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C19H23N5O2.C12H12N2O2S/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23);1-8H,13-14H2