2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[2-(4-bromophenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[2-(4-bromophenyl)sulfanylethyl]ethanamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C14H16BrN5OS2 MolecularWeight: 414.34374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)CSC2=NC(=CC(=N2)N)N)Br

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)CSC2=NC(=CC(=N2)N)N)Br

InChI

InChI=1S/C14H16BrN5OS2/c15-9-1-3-10(4-2-9)22-6-5-18-13(21)8-23-14-19-11(16)7-12(17)20-14/h1-4,7H,5-6,8H2,(H,18,21)(H4,16,17,19,20)