Chem
J-GLOBAL ID：200907037919791463   Nikkaji number：J1.467.424A

(4S)-6-Methyl-6β-(5-bromo-2-pyrrolylcarbonyloxymethyl)-1,4,5,6-tetrahydropyrimidine-4α-carboxylic acid

(4S)-6-メチル-6β-(5-ブロモ-2-ピロリルカルボニルオキシメチル)-1,4,5,6-テトラヒドロピリミジン-4α-カルボン酸
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： C12H14BrN3O4
Molecular formula furigana： C12-H14-BR-N3-O4
Molecular weight： 344.165
InChI： InChI=1S/C12H14BrN3O4/c1-12(4-8(10(17)18)14-6-15-12)5-20-11(19)7-2-3-9(13)16-7/h2-3,6,8,16H,4-5H2,1H3,(H,14,15)(H,17,18)/t8-,12-/m0/s1
InChI key： SDAJAYMYZDJTPU-UFBFGSQYSA-N
SMILES： C[C@@]1(COC(=O)c2ccc(Br)[nH]2)C[C@H](N=CN1)C(=O)O
Systematic name  (3)：
  • (4S)-6-メチル-6β-(5-ブロモ-2-ピロリルカルボニルオキシメチル)-1,4,5,6-テトラヒドロピリミジン-4α-カルボン酸
  • (4S,6S)-6-[(5-ブロモ-1H-ピロール-2-カルボニルオキシ)メチル]-6-メチル-1,4,5,6-テトラヒドロピリミジン-4-カルボン酸
  • (4S,6S)-6-[(5-bromo-1H-pyrrole-2-carbonyloxy)methyl]-6-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Other name (1)：
  • (4S)-6-Methyl-6β-(5-bromo-2-pyrrolylcarbonyloxymethyl)-1,4,5,6-tetrahydropyrimidine-4α-carboxylic acid
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