Chem
J-GLOBAL ID：200907054613060459
Nikkaji number：J2.413.906I
10,10′-Octamethylenebis(2,4-dioxo-5-ethyl-2,3,4,10-tetrahydropyrimido[4,5-b]quinoxaline-5-ium)
10,10′-オクタメチレンビス(2,4-ジオキソ-5-エチル-2,3,4,10-テトラヒドロピリミド[4,5-b]キノキサリン-5-イウム)
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： C32H36N6[N+]2O4
Molecular formula furigana： C32-H36-N8-O4
Molecular weight： 596.691
InChI：
InChI=1S/C32H34N8O4/c1-3-37-21-15-9-11-17-23(21)39(27-25(37)29(41)35-31(43)33-27)19-13-7-5-6-8-14-20-40-24-18-12-10-16-22(24)38(4-2)26-28(40)34-32(44)36-30(26)42/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3/p+2
InChI key：
LMCCMKMIHPZOPB-UHFFFAOYSA-P
SMILES：
CC[n+]1c2ccccc2n(CCCCCCCCn2c3ccccc3[n+](CC)c3c2nc(=O)[nH]c3=O)c2nc(=O)[nH]c(=O)c12
Systematic name (3)：
- 10,10′-オクタメチレンビス(2,4-ジオキソ-5-エチル-2,3,4,10-テトラヒドロピリミド[4,5-b]キノキサリン-5-イウム)
- 5-エチル-10-(8-{5-エチル-2,4-ジオキソ-2H,3H,4H,10H-ベンゾ[g]プテリジン-5-イウム-10-イル}オクチル)-2,4-ジオキソ-2H,3H,4H,10H-ベンゾ[g]プテリジン-5-イウム
- 5-ethyl-10-(8-{5-ethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-5-ium-10-yl}octyl)-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-5-ium
- 10,10′-Octamethylenebis(2,4-dioxo-5-ethyl-2,3,4,10-tetrahydropyrimido[4,5-b]quinoxaline-5-ium)
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