N-(4-bromanyl-3-methyl-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H12BrN5OS MolecularWeight: 378.24698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC=NC3=C2NC=N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC=NC3=C2NC=N3)Br

InChI

InChI=1S/C14H12BrN5OS/c1-8-4-9(2-3-10(8)15)20-11(21)5-22-14-12-13(17-6-16-12)18-7-19-14/h2-4,6-7H,5H2,1H3,(H,20,21)(H,16,17,18,19)