Chem
J-GLOBAL ID：201407066459896555   Nikkaji number：J3.258.952I

Roniciclib

ロニシクリブ
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： C18H21F3N4O3S
Molecular formula furigana： C18-H21-F3-N4-O3-S
Molecular weight： 430.450
InChI： InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1
InChI key： UELYDGOOJPRWGF-MFOHZAOFSA-N
SMILES： C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F
Systematic name  (4)：
  • (2R,3R)-3-[[2-[[4-(S-シクロプロピルスルホンイミドイル)フェニル]アミノ]-5-(トリフルオロメチル)-4-ピリミジニル]オキシ]-2-ブタノール
  • S-シクロプロピル-S-[4-[[4-[(1R,2R)-2-ヒドロキシ-1-メチルプロポキシ]-5-(トリフルオロメチル)-2-ピリミジニル]アミノ]フェニル]スルホキシミン
  • [シクロプロピル({4-[(4-{[(2R,3R)-3-ヒドロキシブタン-2-イル]オキシ}-5-(トリフルオロメチル)ピリミジン-2-イル)アミノ]フェニル})イミノ-λ6-スルファニル]オン
  • [cyclopropyl({4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]oxy}-5-(trifluoromethyl)pyrimidin-2-yl)amino]phenyl})imino-λ6-sulfanyl]one
Other name (5)：
  • (2R,3R)-3-[[2-[[4-(S-Cyclopropylsulfonimidoyl)phenyl]amino]-5-(trifluoromethyl)-4-pyrimidinyl]oxy]-2-butanol
  • BAY-1000394
  • S-Cyclopropyl-S-[4-[[4-[(1R,2R)-2-hydroxy-1-methylpropoxy]-5-(trifluoromethyl)-2-pyrimidinyl]amino]phenyl]sulfoximine
  • ロニシクリブ
  • Roniciclib
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