Chem
J-GLOBAL ID：201207087884737137   Nikkaji number：J3.014.383C

SCH-785532

3-[5-[(4S)-2-アミノ-1,4-ジメチル-6-オキソ-5H-ピリミジン-4-イル]チオフェン-3-イル]ベンゾニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H16N4OS
Molecular formula furigana： C17-H16-N4-O-S
Molecular weight： 324.400
InChI： InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1
InChI key： MLNWGLXMDFUREO-KRWDZBQOSA-N
SMILES： CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)c1cccc(c1)C#N
Systematic name  (3)：
  • 3-[5-[(4S)-2-アミノ-1,4-ジメチル-6-オキソ-5H-ピリミジン-4-イル]チオフェン-3-イル]ベンゾニトリル
  • 3-{5-[(4S)-2-アミノ-1,4-ジメチル-6-オキソ-1,4,5,6-テトラヒドロピリミジン-4-イル]チオフェン-3-イル}ベンゾニトリル
  • 3-{5-[(4S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile
Other name (2)：
  • 3-[5-[(4S)-2-Amino-1,4-dimethyl-6-oxo-5H-pyrimidine-4-yl]thiophene-3-yl]benzonitrile
  • SCH-785532
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