Chem
J-GLOBAL ID：200907061866150930   Nikkaji number：J342.068J

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

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]-3-メチル尿素
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： C14H17N3O3
Molecular formula furigana： C14-H17-N3-O3
Molecular weight： 275.308
InChI： InChI=1S/C14H17N3O3/c1-14(2)12(18)11(17-13(19)16-3)9-6-8(7-15)4-5-10(9)20-14/h4-6,11-12,18H,1-3H3,(H2,16,17,19)/t11?,12-/m0/s1
InChI key： UMRCYSZVHWKWQX-KIYNQFGBSA-N
SMILES： CNC(=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-メチルウレイド)-2H-1-ベンゾピラン-6-カルボニトリル
  • 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]-3-メチル尿素
  • 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-methylurea
Other name (1)：
  • (3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-(3-methylureido)-2H-1-benzopyran-6-carbonitrile
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