Chem
J-GLOBAL ID：200907071041180239
Nikkaji number：J2.413.905K
10,10′-Pentamethylenebis(2,4-dioxo-5-ethyl-2,3,4,10-tetrahydropyrimido[4,5-b]quinoxaline-5-ium)
10,10′-ペンタメチレンビス(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： C29H30N6[N+]2O4
Molecular formula furigana： C29-H30-N8-O4
Molecular weight： 554.610
InChI：
InChI=1S/C29H28N8O4/c1-3-34-18-12-6-8-14-20(18)36(24-22(34)26(38)32-28(40)30-24)16-10-5-11-17-37-21-15-9-7-13-19(21)35(4-2)23-25(37)31-29(41)33-27(23)39/h6-9,12-15H,3-5,10-11,16-17H2,1-2H3/p+2
InChI key：
MSFCPCTVVYNVSP-UHFFFAOYSA-P
SMILES：
CC[n+]1c2ccccc2n(CCCCCn2c3ccccc3[n+](CC)c3c2nc(=O)[nH]c3=O)c2nc(=O)[nH]c(=O)c12
Systematic name (3)：
- 10,10′-ペンタメチレンビス(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-(5-{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}ペンチル)-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-(5-{5-ethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-5-ium-10-yl}pentyl)-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-5-ium
- 10,10′-Pentamethylenebis(2,4-dioxo-5-ethyl-2,3,4,10-tetrahydropyrimido[4,5-b]quinoxaline-5-ium)
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