5-[(4-methoxy-3-methylsulfanyl-5-methylsulfinyl-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(4-methoxy-3-methylsulfanyl-5-methylsulfinyl-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(4-methoxy-3-methylsulfanyl-5-methylsulfinyl-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-methoxy-3-methylsulfinyl-5-(methylthio)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(4-methoxy-3-methylsulfanyl-5-methylsulfinylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-methoxy-3-methylsulfinyl-5-(methylthio)benzyl]pyrimidin-4-yl]amine Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1S(=O)C)CC2=CN=C(N=C2N)N)SC

Isomeric SMILES

COC1=C(C=C(C=C1S(=O)C)CC2=CN=C(N=C2N)N)SC

InChI

InChI=1S/C14H18N4O2S2/c1-20-12-10(21-2)5-8(6-11(12)22(3)19)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)