2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(2-bromo-4,5-dimethoxy-benzyl)thio]pyrimidin-4-yl]amine Formula: C13H15BrN4O2S MolecularWeight: 371.2528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC(=CC(=N2)N)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC(=CC(=N2)N)N)Br)OC

InChI

InChI=1S/C13H15BrN4O2S/c1-19-9-3-7(8(14)4-10(9)20-2)6-21-13-17-11(15)5-12(16)18-13/h3-5H,6H2,1-2H3,(H4,15,16,17,18)