Chem
J-GLOBAL ID：200907005718118796   Nikkaji number：J2.563.735F

(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-1,2-dihydro-3H,10H-4-oxa-9-thiaphenanthrene-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-1,2-ジヒドロ-3H,10H-4-オキサ-9-チアフェナントレン-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： C27H21N3O4S
Molecular formula furigana： C27-H21-N3-O4-S
Molecular weight： 483.540
InChI： InChI=1S/C27H21N3O4S/c1-28-24-16(25(31)29(2)27(28)33)12-18-20-17(13-30(18)24)22(14-8-4-3-5-9-14)34-23-15-10-6-7-11-19(15)35-26(32)21(20)23/h3-12,17,20,22H,13H2,1-2H3/t17-,20-,22-/m1/s1
InChI key： YGMKLSFFACCITO-NQSCKRDGSA-N
SMILES： Cn1c2n3C[C@@H]4[C@H](c3cc2c(=O)n(C)c1=O)c1c(O[C@@H]4c2ccccc2)c2ccccc2sc1=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-1,2-ジヒドロ-3H,10H-4-オキサ-9-チアフェナントレン-10-オン
  • (1S,13S,14S)-18,20-ジメチル-13-フェニル-12-オキサ-4-チア-16,18,20-トリアザヘキサシクロ[12.10.0.02,11.05,10.016,24.017,22]テトラコサ-2(11),5,7,9,17(22),23-ヘキサエン-3,19,21-トリオン
  • (1S,13S,14S)-18,20-dimethyl-13-phenyl-12-oxa-4-thia-16,18,20-triazahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-2(11),5,7,9,17(22),23-hexaene-3,19,21-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-1,2-dihydro-3H,10H-4-oxa-9-thiaphenanthrene-10-one
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