Chem
J-GLOBAL ID:200907000616876732
Nikkaji number:J2.591.113J
(2R)-2β-(4,6-Dichloro-1,3,5-triazine-2-ylamino)-4β-(4-nitrophenyl)-5β-amino-1,3-dioxane
(2R)-2β-(4,6-ジクロロ-1,3,5-トリアジン-2-イルアミノ)-4β-(4-ニトロフェニル)-5β-アミノ-1,3-ジオキサン
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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:
C13 H12 Cl2 N5 [N+]O3 [O-]
Molecular formula furigana:
C13-H12-CL2-N6-O4
Molecular weight:
387.180
InChI:
InChI=1S/C13H12Cl2N6O4/c14-10-17-11(15)19-12(18-10)20-13-24-5-8(16)9(25-13)6-1-3-7(4-2-6)21(22)23/h1-4,8-9,13H,5,16H2,(H,17,18,19,20)/t8-,9-,13+/m0/s1
InChI key:
VHBOYRHHPDFTIH-MWODSPESSA-N
SMILES:
N[C@H]1CO[C@@H](Nc2nc(Cl)nc(Cl)n2)O[C@H]1c1ccc(cc1)[N+](=O)[O-]
Systematic name (3):
(2R)-2β-(4,6-ジクロロ-1,3,5-トリアジン-2-イルアミノ)-4β-(4-ニトロフェニル)-5β-アミノ-1,3-ジオキサン
(2R,4S,5S)-N2-(4,6-ジクロロ-1,3,5-トリアジン-2-イル)-4-(4-ニトロフェニル)-1,3-ジオキサン-2,5-ジアミン
(2R,4S,5S)-N2-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(4-nitrophenyl)-1,3-dioxane-2,5-diamine
Other name (1):
(2R)-2β-(4,6-Dichloro-1,3,5-triazine-2-ylamino)-4β-(4-nitrophenyl)-5β-amino-1,3-dioxane
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