Chem
J-GLOBAL ID：200907010678725310   Nikkaji number：J342.070A

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

3-ブチル-1-[(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： C17H23N3O3
Molecular formula furigana： C17-H23-N3-O3
Molecular weight： 317.389
InChI： InChI=1S/C17H23N3O3/c1-4-5-8-19-16(22)20-14-12-9-11(10-18)6-7-13(12)23-17(2,3)15(14)21/h6-7,9,14-15,21H,4-5,8H2,1-3H3,(H2,19,20,22)/t14?,15-/m0/s1
InChI key： YAMBEIBALXPMOS-LOACHALJSA-N
SMILES： CCCCNC(=O)NC1[C@H](O)C(C)(C)Oc2ccc(cc12)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-(3-ブチルウレイド)-2H-1-ベンゾピラン-6-カルボニトリル
  • 3-ブチル-1-[(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
  • 3-butyl-1-[(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-(3-butylureido)-2H-1-benzopyran-6-carbonitrile
Thsaurus map：
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