Chem
J-GLOBAL ID:200907078954728780
Nikkaji number:J11.588F
Isocaffeine
イソカフェイン
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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:
C8 H10 N4 O2
Molecular formula furigana:
C8-H10-N4-O2
Molecular weight:
194.194
InChI:
InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
InChI key:
LPHGQDQBBGAPDZ-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1n(C)c(=O)n(C)c2=O
Systematic name (6):
1,3,9-トリメチル-9H-プリン-2,6(1H,3H)-ジオン
3,9-ジヒドロ-1,3,9-トリメチル-1H-プリン-2,6-ジオン
1,3,9-トリメチル-1,2,3,6-テトラヒドロ-9H-プリン-2,6-ジオン
1,3,9-トリメチル-1H-プリン-2,6(3H,9H)-ジオン
1,3,9-トリメチル-2,3,6,9-テトラヒドロ-1H-プリン-2,6-ジオン
1,3,9-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
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Other name (5):
イソカフェイン
Isocaffeine
3,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
1,3,9-Trimethyl-1,2,3,6-tetrahydro-9H-purine-2,6-dione
1,3,9-Trimethyl-1H-purine-2,6(3H,9H)-dione
CAS registry number:
519-32-4
Regulation number (1):
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