5-[[4-(2,6-dimethylpyridin-4-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(2,6-dimethylpyridin-4-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(2,6-dimethyl-4-pyridyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(2,6-dimethyl-4-pyridinyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(2,6-dimethylpyridin-4-yl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(2,6-dimethyl-4-pyridyl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c1-5-28-18-10-15(9-17-12-25-22(24)27-21(17)23)11-19(29-6-2)20(18)16-7-13(3)26-14(4)8-16/h7-8,10-12H,5-6,9H2,1-4H3,(H4,23,24,25,27)