Chem
J-GLOBAL ID：200907097698554480   Nikkaji number：J342.067A

(3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-ureido-2H-1-benzopyran-6-carbonitrile

[(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]尿素
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： C13H15N3O3
Molecular formula furigana： C13-H15-N3-O3
Molecular weight： 261.281
InChI： InChI=1S/C13H15N3O3/c1-13(2)11(17)10(16-12(15)18)8-5-7(6-14)3-4-9(8)19-13/h3-5,10-11,17H,1-2H3,(H3,15,16,18)/t10?,11-/m0/s1
InChI key： AJIPBIHQKZVEKP-DTIOYNMSSA-N
SMILES： CC1(C)Oc2ccc(cc2C(NC(=O)N)[C@@H]1O)C#N
Systematic name  (3)：
  • (3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-4-ウレイド-2H-1-ベンゾピラン-6-カルボニトリル
  • [(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]尿素
  • [(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]urea
Other name (1)：
  • (3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-ureido-2H-1-benzopyran-6-carbonitrile
Thsaurus map：
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