Chem
J-GLOBAL ID:201707014742258460
Nikkaji number:J3.550.487G
BAY-73-6691
1-(2-クロロフェニル)-6-[(2R)-3,3,3-トリフルオロ-2-メチルプロピル]-1H-ピラゾロ[3,4-d]ピリミジン-4(5H)-オン
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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:
C15 H12 ClF3 N4 O
Molecular formula furigana:
C15-H12-CL-F3-N4-O
Molecular weight:
356.730
InChI:
InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1
InChI key:
FFPXPXOAFQCNBS-MRVPVSSYSA-N
SMILES:
C[C@H](Cc1nc2n(ncc2c(=O)[nH]1)c1ccccc1Cl)C(F)(F)F
Systematic name (3):
1-(2-クロロフェニル)-6-[(2R)-3,3,3-トリフルオロ-2-メチルプロピル]-1H-ピラゾロ[3,4-d]ピリミジン-4(5H)-オン
1-(2-クロロフェニル)-6-[(2R)-3,3,3-トリフルオロ-2-メチルプロピル]-1H,4H,5H-ピラゾロ[3,4-d]ピリミジン-4-オン
1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Other name (2):
1-(2-Chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-one
BAY-73-6691
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