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

Systemtic Name: 5-[(3-chloranyl-5-methoxy-4-methylsulfanyl-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3-chloro-5-methoxy-4-methylsulfanyl-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-chloro-5-methoxy-4-(methylthio)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3-chloro-5-methoxy-4-methylsulfanylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-chloro-5-methoxy-4-(methylthio)benzyl]pyrimidin-4-yl]amine Formula: C13H15ClN4OS MolecularWeight: 310.8024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)Cl)SC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)Cl)SC

InChI

InChI=1S/C13H15ClN4OS/c1-19-10-5-7(4-9(14)11(10)20-2)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)