Chem
J-GLOBAL ID:200907032670907677   Nikkaji number:J2.563.743G

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

(3S)-2,2-ジメチル-3α,4α-[メチレン(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-7,6-ジイル)]-5,6-[1,3]ブタジエノ-3,4-ジヒドロ-2H,10H-1,9-ジオキサアントラセン-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: C27H23N3O5
Molecular formula furigana: C27-H23-N3-O5
Molecular weight: 469.497
InChI: InChI=1S/C27H23N3O5/c1-27(2)16-12-30-17(11-15-23(30)28(3)26(33)29(4)24(15)32)20(16)21-22(31)19-14-8-6-5-7-13(14)9-10-18(19)34-25(21)35-27/h5-11,16,20H,12H2,1-4H3/t16-,20-/m1/s1
InChI key: CRLYXCWGEMELHD-OXQOHEQNSA-N
SMILES: Cn1c2n3C[C@@H]4[C@H](c3cc2c(=O)n(C)c1=O)c1c(OC4(C)C)oc2ccc3ccccc3c2c1=O
Systematic name  (3):
  • (3S)-2,2-ジメチル-3α,4α-[メチレン(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-7,6-ジイル)]-5,6-[1,3]ブタジエノ-3,4-ジヒドロ-2H,10H-1,9-ジオキサアントラセン-10-オン
  • (2S,13S)-7,9,14,14-テトラメチル-15,17-ジオキサ-7,9,11-トリアザヘプタシクロ[14.12.0.02,13.03,11.05,10.018,27.021,26]オクタコサ-1(16),3,5(10),18(27),19,21,23,25-オクタエン-6,8,28-トリオン
  • (2S,13S)-7,9,14,14-tetramethyl-15,17-dioxa-7,9,11-triazaheptacyclo[14.12.0.02,13.03,11.05,10.018,27.021,26]octacosa-1(16),3,5(10),18(27),19,21,23,25-octaene-6,8,28-trione
Other name (1):
  • (3S)-2,2-Dimethyl-3α,4α-[methylene(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-7H-pyrrolo[2,3-d]pyrimidine-7,6-diyl)]-5,6-[1,3]butadieno-3,4-dihydro-2H,10H-1,9-dioxaanthracene-10-one
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