Chem
J-GLOBAL ID:200907080819311556
Nikkaji number:J80.086D
9-Methylxanthine
9-メチルキサンチン
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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:
C6 H6 N4 O2
Molecular formula furigana:
C6-H6-N4-O2
Molecular weight:
166.140
InChI:
InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12)
InChI key:
DHNIKYWYTSMDDA-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1[nH]c(=O)[nH]c2=O
Systematic name (6):
9-メチル-1,3-ジヒドロ-9H-プリン-2,6-ジオン
9-メチル-9H-プリン-2,6(1H,3H)-ジオン
3,9-ジヒドロ-9-メチル-1H-プリン-2,6-ジオン
9-メチル-1,2,3,6-テトラヒドロ-9H-プリン-2,6-ジオン
9-メチル-2,3,6,9-テトラヒドロ-1H-プリン-2,6-ジオン
9-methyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
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Other name (4):
9-メチルキサンチン
9-Methylxanthine
3,9-Dihydro-9-methyl-1H-purine-2,6-dione
9-Methyl-1,2,3,6-tetrahydro-9H-purine-2,6-dione
CAS registry number:
1198-33-0
Regulation number (1):
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