Chem
J-GLOBAL ID:200907042644704879
Nikkaji number:J48.736H
8-(2-Pyrrolidinoethyl)thio-6-thiotheophylline
8-(2-ピロリジノエチル)チオ-6-チオテオフィリン
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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:
C13 H19 N5 OS2
Molecular formula furigana:
C13-H19-N5-O-S2
Molecular weight:
325.450
InChI:
InChI=1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)
InChI key:
KLAIFKHPSDRWRR-UHFFFAOYSA-N
SMILES:
Cn1c2nc(SCCN3CCCC3)[nH]c2c(=S)n(C)c1=O
Systematic name (4):
6,7-ジヒドロ-1,3-ジメチル-8-[(2-ピロリジノエチル)チオ]-6-チオキソ-1H-プリン-2(3H)-オン
8-[[2-(1-ピロリジニル)エチル]チオ]-6,7-ジヒドロ-1,3-ジメチル-6-チオキソ-1H-プリン-2(3H)-オン
1,3-ジメチル-8-{[2-(ピロリジン-1-イル)エチル]スルファニル}-6-スルファニリデン-2,3,6,7-テトラヒドロ-1H-プリン-2-オン
1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one
Other name (6):
8-(2-Pyrrolidinoethyl)thio-6-thiotheophylline
8-(2-ピロリジノエチル)チオ-6-チオテオフィリン
8-[(2-ピロリジノエチル)チオ]-6-チオテオフィリン
8-[(2-Pyrrolidinoethyl)thio]-6-thiotheophylline
6,7-Dihydro-1,3-dimethyl-8-[(2-pyrrolizinoethyl)thio]-6-thioxo-1H-purin-2(3H)-one
8-[[2-(1-Pyrrolidinyl)ethyl]thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one
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CAS registry number:
6559-86-0
Regulation number (1):
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