Chem
J-GLOBAL ID:200907071894583759
Nikkaji number:J925.591E
BS-DMPX
8-(3-ブロモスチリル)-1-プロパルギル-3,7-ジメチルキサンチン
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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:
C18 H15 BrN4 O2
Molecular formula furigana:
C18-H15-BR-N4-O2
Molecular weight:
399.248
InChI:
InChI=1S/C18H15BrN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3
InChI key:
MSBFTZNWTMZHRK-UHFFFAOYSA-N
SMILES:
Cn1c(C=Cc2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Systematic name (4):
8-(3-ブロモスチリル)-1-プロパルギル-3,7-ジメチルキサンチン
8-(3-ブロモスチリル)-3,7-ジメチル-1-プロパルギルキサンチン
8-[2-(3-ブロモフェニル)エテニル]-3,7-ジメチル-1-(プロパ-2-イン-1-イル)-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
8-[2-(3-bromophenyl)ethenyl]-3,7-dimethyl-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (3):
8-(3-Bromostyryl)-1-propargyl-3,7-dimethylxanthine
8-(3-Bromostyryl)-3,7-dimethyl-1-propargylxanthine
BS-DMPX
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