Chem
J-GLOBAL ID：200907016411801610   Nikkaji number：J2.563.737B

(1S)-1β,2β-[1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-7H-pyrrolo[2,3-d]pyrimidine-6,7-diyl[methylene]]-3β-phenyl-5,6-[1,3]butadieno-1,2-dihydro-3H,10H-4,9-dioxaphenanthrene-10-one

(1S)-1β,2β-[1,3-ジメチル-2,4-ジオキソ-1,2,3,4-テトラヒドロ-7H-ピロロ[2,3-d]ピリミジン-6,7-ジイル[メチレン]]-3β-フェニル-5,6-[1,3]ブタジエノ-1,2-ジヒドロ-3H,10H-4,9-ジオキサフェナントレン-10-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： C31H23N3O5
Molecular formula furigana： C31-H23-N3-O5
Molecular weight： 517.541
InChI： InChI=1S/C31H23N3O5/c1-32-28-19(29(35)33(2)31(32)37)14-21-23-20(15-34(21)28)26(17-9-4-3-5-10-17)39-27-24-18-11-7-6-8-16(18)12-13-22(24)38-30(36)25(23)27/h3-14,20,23,26H,15H2,1-2H3/t20-,23-,26-/m1/s1
InChI key： LQTDEJGBYVZXJE-ROSOWXQZSA-N
SMILES： Cn1c2n3C[C@@H]4[C@H](c3cc2c(=O)n(C)c1=O)c1c(O[C@@H]4c2ccccc2)c2c(ccc3ccccc23)oc1=O
Systematic name  (3)：
  • (1S)-1β,2β-[1,3-ジメチル-2,4-ジオキソ-1,2,3,4-テトラヒドロ-7H-ピロロ[2,3-d]ピリミジン-6,7-ジイル[メチレン]]-3β-フェニル-5,6-[1,3]ブタジエノ-1,2-ジヒドロ-3H,10H-4,9-ジオキサフェナントレン-10-オン
  • (2S,13S,14S)-7,9-ジメチル-14-フェニル-15,27-ジオキサ-7,9,11-トリアザヘプタシクロ[14.12.0.02,13.03,11.05,10.017,26.018,23]オクタコサ-1(16),3,5(10),17(26),18,20,22,24-オクタエン-6,8,28-トリオン
  • (2S,13S,14S)-7,9-dimethyl-14-phenyl-15,27-dioxa-7,9,11-triazaheptacyclo[14.12.0.02,13.03,11.05,10.017,26.018,23]octacosa-1(16),3,5(10),17(26),18,20,22,24-octaene-6,8,28-trione
Other name (1)：
  • (1S)-1β,2β-[1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-7H-pyrrolo[2,3-d]pyrimidine-6,7-diyl[methylene]]-3β-phenyl-5,6-[1,3]butadieno-1,2-dihydro-3H,10H-4,9-dioxaphenanthrene-10-one
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