Chem
J-GLOBAL ID:200907013209953115
Nikkaji number:J130.160H
1-Propyltheobromine
1-プロピルテオブロミン
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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:
C10 H14 N4 O2
Molecular formula furigana:
C10-H14-N4-O2
Molecular weight:
222.248
InChI:
InChI=1S/C10H14N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h6H,4-5H2,1-3H3
InChI key:
XJKSERUTELYNMR-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)n(C)c2ncn(C)c2c1=O
Systematic name (6):
3,7-ジメチル-1-プロピルキサンチン
3,7-ジメチル-1-プロピル-3,7-ジヒドロ-1H-プリン-2,6-ジオン
1-プロピル-3,7-ジメチルキサンチン
3,7-ジメチル-1-プロピル-1H-プリン-2,6(3H,7H)-ジオン
3,7-ジメチル-1-プロピル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
3,7-dimethyl-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
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Other name (3):
1-Propyltheobromine
1-プロピルテオブロミン
3,7-Dimethyl-1-propyl-1H-purine-2,6(3H,7H)-dione
CAS registry number:
63906-63-8
Regulation number (1):
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