2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3-bromanyl-4-methoxy-phenyl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3-bromanyl-4-methoxy-phenyl)ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C13H13BrN4O2S MolecularWeight: 369.23692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O2S/c1-20-10-3-2-7(4-8(10)14)9(19)6-21-13-17-11(15)5-12(16)18-13/h2-5H,6H2,1H3,(H4,15,16,17,18)