(2S)-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-bromanyl-4-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: (2S)-2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(2-bromo-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C15H17BrN4OS MolecularWeight: 381.29068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC(=CC(=N2)N)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NC(=CC(=N2)N)C)Br

InChI

InChI=1S/C15H17BrN4OS/c1-8-4-5-12(11(16)6-8)19-14(21)10(3)22-15-18-9(2)7-13(17)20-15/h4-7,10H,1-3H3,(H,19,21)(H2,17,18,20)/t10-/m0/s1