Chem
J-GLOBAL ID：200907016629080426   Nikkaji number：J792.347C

7-[(2β,7-Diamino-5,8-dioxo-6-methyl-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indole-9-yl)methyl]guanine

7-[(2β,7-ジアミノ-5,8-ジオキソ-6-メチル-2,3,5,8-テトラヒドロ-1H-ピロロ[1,2-a]インドール-9-イル)メチル]グアニン
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： C18H18N8O3
Molecular formula furigana： C18-H18-N8-O3
Molecular weight： 394.395
InChI： InChI=1S/C18H18N8O3/c1-6-11(20)15(28)10-8(9-2-7(19)3-26(9)12(10)14(6)27)4-25-5-22-16-13(25)17(29)24-18(21)23-16/h5,7H,2-4,19-20H2,1H3,(H3,21,23,24,29)/t7-/m1/s1
InChI key： KSXGWYINSBOESP-SSDOTTSWSA-N
SMILES： CC1=C(N)C(=O)c2c(Cn3cnc4nc(N)[nH]c(=O)c34)c3C[C@@H](N)Cn3c2C1=O
Systematic name  (4)：
  • 2-アミノ-7-[(2,3,5,8-テトラヒドロ-2β,7-ジアミノ-5,8-ジオキソ-6-メチル-1H-ピロロ[1,2-a]インドール)-9-イルメチル]-1,7-ジヒドロ-6H-プリン-6-オン
  • 7-[(2β,7-ジアミノ-5,8-ジオキソ-6-メチル-2,3,5,8-テトラヒドロ-1H-ピロロ[1,2-a]インドール-9-イル)メチル]グアニン
  • (2R)-2,7-ジアミノ-9-[(2-アミノ-6-オキソ-6,7-ジヒドロ-1H-プリン-7-イル)メチル]-6-メチル-1H,2H,3H,5H,8H-シクロヘキサ[b]ピロリジン-5,8-ジオン
  • (2R)-2,7-diamino-9-[(2-amino-6-oxo-6,7-dihydro-1H-purin-7-yl)methyl]-6-methyl-1H,2H,3H,5H,8H-cyclohexa[b]pyrrolizine-5,8-dione
Other name (2)：
  • 2-Amino-7-[(2,3,5,8-tetrahydro-2β,7-diamino-5,8-dioxo-6-methyl-1H-pyrrolo[1,2-a]indol)-9-ylmethyl]-1,7-dihydro-6H-purin-6-one
  • 7-[(2β,7-Diamino-5,8-dioxo-6-methyl-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indole-9-yl)methyl]guanine
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