Chem
J-GLOBAL ID：200907058582500833   Nikkaji number：J1.251.181G

[3H]-MRE-3008-F20

1-[2-(2-フラニル)-7-(2,3-3H2)プロピル-7H-1,3,3a,5,6,7-ヘキサアザ-as-インダセン-4-イル]-3-(4-メトキシフェニル)尿素
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： C21H18[3H]2N8O3
Molecular formula furigana： C21-H20-N8-O3
Molecular weight： 436.460
InChI： InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)/i1T,3T
InChI key： CJRNHKSLHHWUAB-UURISEFRSA-N
SMILES： C([3H])C([3H])Cn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)c1ccco1
Systematic name  (3)：
  • 1-[2-(2-フラニル)-7-(2,3-3H2)プロピル-7H-1,3,3a,5,6,7-ヘキサアザ-as-インダセン-4-イル]-3-(4-メトキシフェニル)尿素
  • 3-[4-(フラン-2-イル)-11-[(2,3-3H2)プロピル]-3,5,6,8,10,11-ヘキサアザトリシクロ[7.3.0.02,6]ドデカ-1(12),2,4,7,9-ペンタエン-7-イル]-1-(4-メトキシフェニル)尿素
  • 3-[4-(furan-2-yl)-11-[(2,3-3H2)propyl]-3,5,6,8,10,11-hexaazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1-(4-methoxyphenyl)urea
Other name (2)：
  • 1-[2-(2-Furanyl)-7-(2,3-3H2)propyl-7H-1,3,3a,5,6,7-hexaaza-as-indacene-4-yl]-3-(4-methoxyphenyl)urea
  • [3H]-MRE-3008-F20
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