Chem
J-GLOBAL ID：200907058768314681   Nikkaji number：J965.767C

(4S)-1,2,11,11aα-Tetrahydro-2-(2-methoxyethyl)-4α-benzyl-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-(2-メトキシエチル)-4α-ベンジル-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： C24H28N3[N+]O4[O-]
Molecular formula furigana： C24-H28-N4-O5
Molecular weight： 452.511
InChI： InChI=1S/C24H28N4O5/c1-16(2)26-20-10-9-18(28(31)32)14-19(20)23(29)27-21(13-17-7-5-4-6-8-17)24(30)25(11-12-33-3)15-22(26)27/h4-10,14,16,21-22H,11-13,15H2,1-3H3/t21-,22+/m0/s1
InChI key： LPWUYTAGBKRDLJ-FCHUYYIVSA-N
SMILES： COCCN1C[C@@H]2N(C(C)C)c3ccc(cc3C(=O)N2[C@@H](Cc2ccccc2)C1=O)[N+](=O)[O-]
Systematic name  (3)：
  • (4S)-1,2,11,11aα-テトラヒドロ-2-(2-メトキシエチル)-4α-ベンジル-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)-4-ベンジル-2-(2-メトキシエチル)-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)-4-benzyl-2-(2-methoxyethyl)-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-(2-methoxyethyl)-4α-benzyl-8-nitro-11-isopropyl-6H-pyrazino[2,1-b]quinazoline-3,6(4H)-dione
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