Chem
J-GLOBAL ID：200907091629022312   Nikkaji number：J2.312.974D

2-[(Dimethylamino)methyleneamino]-3-(4-nitrophenethyl)-6-[(1R,2S)-1-(4-methoxybenzyloxy)-2-hydroxypropyl]pteridine-4(3H)-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-(4-メトキシベンジルオキシ)-2-ヒドロキシプロピル]プテリジン-4(3H)-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： C28H31N6[N+]O5[O-]
Molecular formula furigana： C28-H31-N7-O6
Molecular weight： 561.599
InChI： InChI=1S/C28H31N7O6/c1-18(36)25(41-16-20-7-11-22(40-4)12-8-20)23-15-29-26-24(31-23)27(37)34(28(32-26)30-17-33(2)3)14-13-19-5-9-21(10-6-19)35(38)39/h5-12,15,17-18,25,36H,13-14,16H2,1-4H3/t18-,25-/m0/s1
InChI key： IFHPYGZPFPBNBY-BVZFJXPGSA-N
SMILES： COc1ccc(CO[C@@H]([C@H](C)O)c2cnc3nc(N=CN(C)C)n(CCc4ccc(cc4)[N+](=O)[O-])c(=O)c3n2)cc1
Systematic name  (7)：
  • 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-(4-メトキシベンジルオキシ)-2-ヒドロキシプロピル]プテリジン-4(3H)-オン
  • 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-(4-メトキシベンジルオキシ)-2-ヒドロキシプロピル]-3,4-ジヒドロプテリジン-4-オン
  • 2-(ジメチルアミノメチレンアミノ)-3-[2-(4-ニトロフェニル)エチル]-6-[(1R,2S)-1-(4-メトキシベンジルオキシ)-2-ヒドロキシプロピル]-3,4-ジヒドロプテリジン-4-オン
  • 2-[(ジメチルアミノ)メチレンアミノ]-3-[2-(4-ニトロフェニル)エチル]-6-[(1R,2S)-1-(4-メトキシベンジルオキシ)-2-ヒドロキシプロピル]プテリジン-4(3H)-オン
  • 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-(4-メトキシベンジルオキシ)-2-ヒドロキシプロピル]プテリジン-4(3H)-オン
Show all
Other name (5)：
  • 2-[(Dimethylamino)methyleneamino]-3-(4-nitrophenethyl)-6-[(1R,2S)-1-(4-methoxybenzyloxy)-2-hydroxypropyl]pteridine-4(3H)-one
  • 2-(Dimethylaminomethyleneamino)-3-(4-nitrophenethyl)-6-[(1R,2S)-1-(4-methoxybenzyloxy)-2-hydroxypropyl]-3,4-dihydropteridine-4-one
  • 2-(Dimethylaminomethyleneamino)-3-[2-(4-nitrophenyl)ethyl]-6-[(1R,2S)-1-(4-methoxybenzyloxy)-2-hydroxypropyl]-3,4-dihydropteridine-4-one
  • 2-[(Dimethylamino)methyleneamino]-3-[2-(4-nitrophenyl)ethyl]-6-[(1R,2S)-1-(4-methoxybenzyloxy)-2-hydroxypropyl]pteridine-4(3H)-one
  • 2-[(Dimethylaminomethylene)amino]-3-(4-nitrophenethyl)-6-[(1R,2S)-1-(4-methoxybenzyloxy)-2-hydroxypropyl]pteridine-4(3H)-one
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