Chem
J-GLOBAL ID：200907044843400172   Nikkaji number：J2.774.253J

2-(Dimethylaminomethyleneamino)-3-(4-nitrophenethyl)-6-[(1R,2S)-1-hydroxy-2-(α-D-glucopyranosyloxy)propyl]-3,4-dihydropteridine-4-one

2-(ジメチルアミノメチレンアミノ)-3-(4-ニトロフェネチル)-6-[(1R,2S)-1-ヒドロキシ-2-(α-D-グルコピラノシルオキシ)プロピル]-3,4-ジヒドロプテリジン-4-オン
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： C26H33N6[N+]O9[O-]
Molecular formula furigana： C26-H33-N7-O10
Molecular weight： 603.589
InChI： InChI=1S/C26H33N7O10/c1-13(42-25-22(38)21(37)20(36)17(11-34)43-25)19(35)16-10-27-23-18(29-16)24(39)32(26(30-23)28-12-31(2)3)9-8-14-4-6-15(7-5-14)33(40)41/h4-7,10,12-13,17,19-22,25,34-38H,8-9,11H2,1-3H3/t13-,17+,19-,20+,21-,22+,25-/m0/s1
InChI key： IUJMWNOTYAACDP-MQJMDCDBSA-N
SMILES： C[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)c1cnc2nc(N=CN(C)C)n(CCc3ccc(cc3)[N+](=O)[O-])c(=O)c2n1
Systematic name  (3)：
  • 2-(ジメチルアミノメチレンアミノ)-3-(4-ニトロフェネチル)-6-[(1R,2S)-1-ヒドロキシ-2-(α-D-グルコピラノシルオキシ)プロピル]-3,4-ジヒドロプテリジン-4-オン
  • N'-{6-[(1R,2S)-1-ヒドロキシ-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}プロピル]-3-[2-(4-ニトロフェニル)エチル]-4-オキソ-3,4-ジヒドロプテリジン-2-イル}-N,N-ジメチルメタンイミドアミド
  • N'-{6-[(1R,2S)-1-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl]-3-[2-(4-nitrophenyl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}-N,N-dimethylmethanimidamide
Other name (1)：
  • 2-(Dimethylaminomethyleneamino)-3-(4-nitrophenethyl)-6-[(1R,2S)-1-hydroxy-2-(α-D-glucopyranosyloxy)propyl]-3,4-dihydropteridine-4-one
Thsaurus map：
Thesaurus Map

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