2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-bromanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C14H12BrN5OS MolecularWeight: 378.24698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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