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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O4S/c1-33-22-13-15(11-17-14-29-25(28)30-24(17)27)12-21(23(22)34-2)16-3-7-19(8-4-16)35(31,32)20-9-5-18(26)6-10-20/h3-10,12-14H,11,26H2,1-2H3,(H4,27,28,29,30)