5-[[3-[[4-(4-aminophenyl)sulfonylphenyl]methoxy]-4-methoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3-[[4-(4-aminophenyl)sulfonylphenyl]methoxy]-4-methoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-[[4-(4-aminophenyl)sulfonylphenyl]methoxy]-4-methoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-[[4-(4-aminophenyl)sulfonylphenyl]methoxy]-4-methoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-[[4-(4-aminophenyl)sulfonylphenyl]methoxy]-4-methoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-methoxy-3-(4-sulfanilylbenzyl)oxy-benzyl]pyrimidin-4-yl]amine Formula: C25H25N5O4S MolecularWeight: 491.5621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C25H25N5O4S/c1-33-22-11-4-17(12-18-14-29-25(28)30-24(18)27)13-23(22)34-15-16-2-7-20(8-3-16)35(31,32)21-9-5-19(26)6-10-21/h2-11,13-14H,12,15,26H2,1H3,(H4,27,28,29,30)