Chem
J-GLOBAL ID：200907023425847856
Nikkaji number：J2.313.072F
(3aβ,6aβ)-4α-(6-Heptynyl)hexahydro-1H-thieno[3,4-d]imidazole-2-one
(3aβ,6aβ)-4α-(6-ヘプチニル)ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-2-オン
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
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
Molecular formula： C12H18N2OS
Molecular formula furigana： C12-H18-N2-O-S
Molecular weight： 238.350
InChI：
InChI=1S/C12H18N2OS/c1-2-3-4-5-6-7-10-11-9(8-16-10)13-12(15)14-11/h1,9-11H,3-8H2,(H2,13,14,15)/t9-,10-,11-/m0/s1
InChI key：
HWFZBYFQQMRYQB-DCAQKATOSA-N
SMILES：
O=C1N[C@H]2CS[C@@H](CCCCCC#C)[C@H]2N1
Systematic name (3)：
- (3aβ,6aβ)-4α-(6-ヘプチニル)ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-2-オン
- (3aS,4S,6aR)-4-(ヘプタ-6-イン-1-イル)-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-2-オン
- (3aS,4S,6aR)-4-(hept-6-yn-1-yl)-hexahydro-1H-thieno[3,4-d]imidazol-2-one
- (3aβ,6aβ)-4α-(6-Heptynyl)hexahydro-1H-thieno[3,4-d]imidazole-2-one
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