Chem
J-GLOBAL ID：200907071542496325   Nikkaji number：J342.072H

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

3-[(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]-1-フェニル尿素
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： C19H19N3O3
Molecular formula furigana： C19-H19-N3-O3
Molecular weight： 337.379
InChI： InChI=1S/C19H19N3O3/c1-19(2)17(23)16(14-10-12(11-20)8-9-15(14)25-19)22-18(24)21-13-6-4-3-5-7-13/h3-10,16-17,23H,1-2H3,(H2,21,22,24)/t16?,17-/m0/s1
InChI key： WQKPRDCCTXPCNO-DJNXLDHESA-N
SMILES： CC1(C)Oc2ccc(cc2C(NC(=O)Nc2ccccc2)[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-(3-フェニルウレイド)-2H-1-ベンゾピラン-6-カルボニトリル
  • 3-[(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]-1-フェニル尿素
  • 3-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-1-phenylurea
Other name (1)：
  • (3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-(3-phenylureido)-2H-1-benzopyran-6-carbonitrile
Thsaurus map：
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