Chem
J-GLOBAL ID:201407086838822535   Nikkaji number:J3.245.096B

1,3,9-Trimethyl-8-(phenylthio)-1H-purine-2,6(3H,9H)-dione

1,3,9-トリメチル-8-(フェニルチオ)-1H-プリン-2,6(3H,9H)-ジオン
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: C14H14N4O2S
Molecular formula furigana: C14-H14-N4-O2-S
Molecular weight: 302.350
InChI: InChI=1S/C14H14N4O2S/c1-16-11-10(12(19)18(3)14(20)17(11)2)15-13(16)21-9-7-5-4-6-8-9/h4-8H,1-3H3
InChI key: DTXKSYPXPIIOCL-UHFFFAOYSA-N
SMILES: Cn1c(Sc2ccccc2)nc2c1n(C)c(=O)n(C)c2=O
Systematic name  (3):
  • 1,3,9-トリメチル-8-(フェニルチオ)-1H-プリン-2,6(3H,9H)-ジオン
  • 1,3,9-トリメチル-8-(フェニルスルファニル)-2,3,6,9-テトラヒドロ-1H-プリン-2,6-ジオン
  • 1,3,9-trimethyl-8-(phenylsulfanyl)-2,3,6,9-tetrahydro-1H-purine-2,6-dione
Other name (1):
  • 1,3,9-Trimethyl-8-(phenylthio)-1H-purine-2,6(3H,9H)-dione
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