Chem
J-GLOBAL ID：200907074567032977   Nikkaji number：J965.765G

(4S)-1,2,11,11aα-Tetrahydro-2-benzyl-4α-methyl-8-nitro-11-isopropyl-6H-pyrazino[2,1-b]quinazoline-3,6(4H)-dione

(4S)-1,2,11,11aα-テトラヒドロ-2-ベンジル-4α-メチル-8-ニトロ-11-イソプロピル-6H-ピラジノ[2,1-b]キナゾリン-3,6(4H)-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： C22H24N3[N+]O3[O-]
Molecular formula furigana： C22-H24-N4-O4
Molecular weight： 408.458
InChI： InChI=1S/C22H24N4O4/c1-14(2)24-19-10-9-17(26(29)30)11-18(19)22(28)25-15(3)21(27)23(13-20(24)25)12-16-7-5-4-6-8-16/h4-11,14-15,20H,12-13H2,1-3H3/t15-,20+/m0/s1
InChI key： QBHFKRMCGUETRR-MGPUTAFESA-N
SMILES： CC(C)N1[C@H]2CN(Cc3ccccc3)C(=O)[C@H](C)N2C(=O)c2cc(ccc12)[N+](=O)[O-]
Systematic name  (3)：
  • (4S)-1,2,11,11aα-テトラヒドロ-2-ベンジル-4α-メチル-8-ニトロ-11-イソプロピル-6H-ピラジノ[2,1-b]キナゾリン-3,6(4H)-ジオン
  • (4S,11aR)-2-ベンジル-4-メチル-8-ニトロ-11-(プロパン-2-イル)-1H,2H,3H,4H,6H,11H,11aH-ピラジノ[2,1-b]キナゾリン-3,6-ジオン
  • (4S,11aR)-2-benzyl-4-methyl-8-nitro-11-(propan-2-yl)-1H,2H,3H,4H,6H,11H,11aH-pyrazino[2,1-b]quinazoline-3,6-dione
Other name (1)：
  • (4S)-1,2,11,11aα-Tetrahydro-2-benzyl-4α-methyl-8-nitro-11-isopropyl-6H-pyrazino[2,1-b]quinazoline-3,6(4H)-dione
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