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

Systemtic Name: 5-[[3,5-diethoxy-4-(6-methylsulfanylpyridin-3-yl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-diethoxy-4-(6-methylsulfanyl-3-pyridyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diethoxy-4-[6-(methylthio)-3-pyridinyl]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diethoxy-4-(6-methylsulfanylpyridin-3-yl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-diethoxy-4-[6-(methylthio)-3-pyridyl]benzyl]pyrimidin-4-yl]amine Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-4-27-16-9-13(8-15-12-25-21(23)26-20(15)22)10-17(28-5-2)19(16)14-6-7-18(29-3)24-11-14/h6-7,9-12H,4-5,8H2,1-3H3,(H4,22,23,25,26)