5-[[3,5-diethoxy-4-(3-methylsulfonylphenyl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,5-diethoxy-4-(3-methylsulfonylphenyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-diethoxy-4-(3-methylsulfonylphenyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diethoxy-4-(3-methylsulfonylphenyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diethoxy-4-(3-methylsulfonylphenyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-diethoxy-4-(3-mesylphenyl)benzyl]pyrimidin-4-yl]amine Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H26N4O4S/c1-4-29-18-10-14(9-16-13-25-22(24)26-21(16)23)11-19(30-5-2)20(18)15-7-6-8-17(12-15)31(3,27)28/h6-8,10-13H,4-5,9H2,1-3H3,(H4,23,24,25,26)