Chem
J-GLOBAL ID:200907049773109701
Nikkaji number:J1.864.740K
1-Butyl-3-(3-hydroxypropyl)-8-(2,5-methanooctahydropentalene-3a-yl)-3,7-dihydro-1H-purine-2,6-dione
1-ブチル-3-(3-ヒドロキシプロピル)-8-(2,5-メタノオクタヒドロペンタレン-3a-イル)-3,7-ジヒドロ-1H-プリン-2,6-ジオン
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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:
C21 H30 N4 O3
Molecular formula furigana:
C21-H30-N4-O3
Molecular weight:
386.496
InChI:
InChI=1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)
InChI key:
CIBIXJYFYPFMTN-UHFFFAOYSA-N
SMILES:
CCCCn1c(=O)n(CCCO)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3
Systematic name (3):
1-ブチル-3-(3-ヒドロキシプロピル)-8-(2,5-メタノオクタヒドロペンタレン-3a-イル)-3,7-ジヒドロ-1H-プリン-2,6-ジオン
1-ブチル-3-(3-ヒドロキシプロピル)-8-{トリシクロ[3.3.1.03,7 ]ノナン-3-イル}-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
1-butyl-3-(3-hydroxypropyl)-8-{tricyclo[3.3.1.03,7 ]nonan-3-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1):
1-Butyl-3-(3-hydroxypropyl)-8-(2,5-methanooctahydropentalene-3a-yl)-3,7-dihydro-1H-purine-2,6-dione
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