Chem
J-GLOBAL ID：201107050134127584
Nikkaji number：J2.911.918J
(4S,4aα,8aα)-4α-(4-Methylphenyl)octahydro-7H-pyrano[2,3-d]pyrimidine-2-one
(4S,4aα,8aα)-4α-(4-メチルフェニル)オクタヒドロ-7H-ピラノ[2,3-d]ピリミジン-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： C14H18N2O2
Molecular formula furigana： C14-H18-N2-O2
Molecular weight： 246.310
InChI：
InChI=1S/C14H18N2O2/c1-9-4-6-10(7-5-9)12-11-3-2-8-18-13(11)16-14(17)15-12/h4-7,11-13H,2-3,8H2,1H3,(H2,15,16,17)/t11-,12-,13-/m1/s1
InChI key：
QOYHHHKASFWJIT-JHJVBQTASA-N
SMILES：
Cc1ccc(cc1)[C@H]1NC(=O)N[C@@H]2OCCC[C@H]12
Systematic name (3)：
- (4S,4aα,8aα)-4α-(4-メチルフェニル)オクタヒドロ-7H-ピラノ[2,3-d]ピリミジン-2-オン
- (4S,4aR,8aR)-4-(4-メチルフェニル)-オクタヒドロ-1H-ピラノ[2,3-d]ピリミジン-2-オン
- (4S,4aR,8aR)-4-(4-methylphenyl)-octahydro-1H-pyrano[2,3-d]pyrimidin-2-one
- (4S,4aα,8aα)-4α-(4-Methylphenyl)octahydro-7H-pyrano[2,3-d]pyrimidine-2-one
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