2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-ethanamide Openeye Name: N-[2-(4-bromophenoxy)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-acetamide CAS Name: N-[2-(4-bromophenoxy)ethyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-methylacetamide IUPAC Name: N-[2-(4-bromophenoxy)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methylacetamide Traditional Name: N-[2-(4-bromophenoxy)ethyl]-2-[(4,6-diaminopyrimidin-2-yl)thio]-N-methyl-acetamide Formula: C15H18BrN5O2S MolecularWeight: 412.30472

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Br)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Br)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H18BrN5O2S/c1-21(6-7-23-11-4-2-10(16)3-5-11)14(22)9-24-15-19-12(17)8-13(18)20-15/h2-5,8H,6-7,9H2,1H3,(H4,17,18,19,20)