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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C13H14BrN5OS MolecularWeight: 368.25216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H14BrN5OS/c1-7-4-8(14)2-3-9(7)17-12(20)6-21-13-18-10(15)5-11(16)19-13/h2-5H,6H2,1H3,(H,17,20)(H4,15,16,18,19)