Chem
J-GLOBAL ID:200907025178809558   Nikkaji number:J1.697.898A

(2R,8R)-2,8-Bis[(4-imidazolyl)methylthiomethyl]-2,3,6,7,8,9-hexahydro-4H-pyrimido[1,2-a]pyrimidine

(2R,8R)-2,8-ビス[(4-イミダゾリル)メチルチオメチル]-2,3,6,7,8,9-ヘキサヒドロ-4H-ピリミド[1,2-a]ピリミジン
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: C17H25N7S2
Molecular formula furigana: C17-H25-N7-S2
Molecular weight: 391.560
InChI: InChI=1S/C17H25N7S2/c1-3-24-4-2-14(8-26-10-16-6-19-12-21-16)23-17(24)22-13(1)7-25-9-15-5-18-11-20-15/h5-6,11-14H,1-4,7-10H2,(H,18,20)(H,19,21)(H,22,23)/t13-,14-/m1/s1
InChI key: ZWZBHHNTQXFKHC-ZIAGYGMSSA-N
SMILES: C(SCc1c[nH]cn1)[C@H]1CCN2CC[C@H](CSCc3c[nH]cn3)N=C2N1
Systematic name  (3):
  • (2R,8R)-2,8-ビス[(4-イミダゾリル)メチルチオメチル]-2,3,6,7,8,9-ヘキサヒドロ-4H-ピリミド[1,2-a]ピリミジン
  • 4-[({[(2R,8R)-8-({[(1H-イミダゾール-4-イル)メチル]スルファニル}メチル)-1H,2H,3H,4H,6H,7H,8H-[1,3]ジアジノ[1,2-a]ピリミジン-2-イル]メチル}スルファニル)メチル]-1H-イミダゾール
  • 4-[({[(2R,8R)-8-({[(1H-imidazol-4-yl)methyl]sulfanyl}methyl)-1H,2H,3H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidin-2-yl]methyl}sulfanyl)methyl]-1H-imidazole
Other name (1):
  • (2R,8R)-2,8-Bis[(4-imidazolyl)methylthiomethyl]-2,3,6,7,8,9-hexahydro-4H-pyrimido[1,2-a]pyrimidine
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