Chem
J-GLOBAL ID:200907028358684388   Nikkaji number:J912.512D

(3aR,5R,6aS)-1-(2,6-Dimethylpyrimidin-4-yl)-3-methyl-5-isopropenyl-1,3a,4,5,6,6a-hexahydrocyclopentapyrazol-6a-ol

(3aR,5R,6aS)-1-(2,6-ジメチルピリミジン-4-イル)-3-メチル-5-イソプロペニル-1,3a,4,5,6,6a-ヘキサヒドロシクロペンタピラゾール-6a-オール
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: C16H22N4O
Molecular formula furigana: C16-H22-N4-O
Molecular weight: 286.379
InChI: InChI=1S/C16H22N4O/c1-9(2)13-7-14-11(4)19-20(16(14,21)8-13)15-6-10(3)17-12(5)18-15/h6,13-14,21H,1,7-8H2,2-5H3/t13-,14-,16+/m1/s1
InChI key: ARGYBMPZCQHOJS-FMKPAKJESA-N
SMILES: CC(=C)[C@@H]1C[C@@H]2C(=NN(c3cc(C)nc(C)n3)[C@]2(O)C1)C
Systematic name  (3):
  • (3aR,5R,6aS)-1-(2,6-ジメチルピリミジン-4-イル)-3-メチル-5-イソプロペニル-1,3a,4,5,6,6a-ヘキサヒドロシクロペンタピラゾール-6a-オール
  • (3aR,5R,6aS)-1-(2,6-ジメチルピリミジン-4-イル)-3-メチル-5-(プロパ-1-エン-2-イル)-1H,3aH,4H,5H,6H,6aH-シクロペンタ[c]ピラゾール-6a-オール
  • (3aR,5R,6aS)-1-(2,6-dimethylpyrimidin-4-yl)-3-methyl-5-(prop-1-en-2-yl)-1H,3aH,4H,5H,6H,6aH-cyclopenta[c]pyrazol-6a-ol
Other name (1):
  • (3aR,5R,6aS)-1-(2,6-Dimethylpyrimidin-4-yl)-3-methyl-5-isopropenyl-1,3a,4,5,6,6a-hexahydrocyclopentapyrazol-6a-ol
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