Chem
J-GLOBAL ID:200907046872055207   Nikkaji number:J2.405.806I

3α-(Thymine-1-yl)-4β-(phenylthio)-8,8-dimethyl-1,7,9-trioxaspiro[4.5]decane

3α-(チミン-1-イル)-4β-(フェニルチオ)-8,8-ジメチル-1,7,9-トリオキサスピロ[4.5]デカン
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: C20H24N2O5S
Molecular formula furigana: C20-H24-N2-O5-S
Molecular weight: 404.480
InChI: InChI=1S/C20H24N2O5S/c1-13-9-22(18(24)21-17(13)23)15-10-25-20(11-26-19(2,3)27-12-20)16(15)28-14-7-5-4-6-8-14/h4-9,15-16H,10-12H2,1-3H3,(H,21,23,24)/t15-,16+/m0/s1
InChI key: UPYVEEHSQSAXMC-JKSUJKDBSA-N
SMILES: Cc1cn([C@H]2COC3(COC(C)(C)OC3)[C@@H]2Sc2ccccc2)c(=O)[nH]c1=O
Systematic name  (3):
  • 3α-(チミン-1-イル)-4β-(フェニルチオ)-8,8-ジメチル-1,7,9-トリオキサスピロ[4.5]デカン
  • 1-[(3S,4R)-8,8-ジメチル-4-(フェニルスルファニル)-1,7,9-トリオキサスピロ[4.5]デカン-3-イル]-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(3S,4R)-8,8-dimethyl-4-(phenylsulfanyl)-1,7,9-trioxaspiro[4.5]decan-3-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
  • 3α-(Thymine-1-yl)-4β-(phenylthio)-8,8-dimethyl-1,7,9-trioxaspiro[4.5]decane
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