Chem
J-GLOBAL ID：200907091121588361   Nikkaji number：J752.550H

2-(Methylthio)-9-amino-1,3,4,6,7,9a-hexaaza-9aH-benz[f]indene-5,8(6H,7H)-dione

2-(メチルチオ)-9-アミノ-1,3,4,6,7,9a-ヘキサアザ-9aH-ベンゾ[f]インデン-5,8(6H,7H)-ジオン
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： C8H7N7O2S
Molecular formula furigana： C8-H7-N7-O2-S
Molecular weight： 265.250
InChI： InChI=1S/C8H7N7O2S/c1-18-8-11-7-10-3-2(4(9)15(7)14-8)5(16)12-13-6(3)17/h9H2,1H3,(H,12,16)(H,13,17)
InChI key： IVJGKZHPSBPROG-UHFFFAOYSA-N
SMILES： CSc1nc2nc3c(c(N)n2n1)c(=O)[nH][nH]c3=O
Systematic name  (4)：
  • 2-(メチルチオ)-9-アミノ-1,3,4,6,7,9a-ヘキサアザ-9aH-ベンゾ[f]インデン-5,8(6H,7H)-ジオン
  • 2-(メチルチオ)-9-アミノ-6,7-ジヒドロ-1,3,4,6,7,9a-ヘキサアザ-9aH-ベンゾ[f]インデン-5,8-ジオン
  • 8-アミノ-5-(メチルスルファニル)-2,4,6,7,11,12-ヘキサアザトリシクロ[7.4.0.03,7]トリデカ-1,3,5,8-テトラエン-10,13-ジオン
  • 8-amino-5-(methylsulfanyl)-2,4,6,7,11,12-hexaazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-10,13-dione
Other name (2)：
  • 2-(Methylthio)-9-amino-1,3,4,6,7,9a-hexaaza-9aH-benz[f]indene-5,8(6H,7H)-dione
  • 2-(Methylthio)-9-amino-6,7-dihydro-1,3,4,6,7,9a-hexaaza-9aH-benzo[f]indene-5,8-dione
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