Chem
J-GLOBAL ID:200907002955960524
Nikkaji number:J1.237.397J
5-[3-(4-Cyanobenzoyl)phenylethynyl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine
5-[3-(4-シアノベンゾイル)フェニルエチニル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
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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:
C46 H37 N3 O8
Molecular formula furigana:
C46-H37-N3-O8
Molecular weight:
759.815
InChI:
InChI=1S/C46H37N3O8/c1-54-38-21-17-36(18-22-38)46(35-9-4-3-5-10-35,37-19-23-39(55-2)24-20-37)56-29-41-40(50)26-42(57-41)49-28-34(44(52)48-45(49)53)16-11-30-7-6-8-33(25-30)43(51)32-14-12-31(27-47)13-15-32/h3-10,12-15,17-25,28,40-42,50H,26,29H2,1-2H3,(H,48,52,53)/t40-,41+,42+/m0/s1
InChI key:
JPAUPQRUCKQENG-FEWNNGCESA-N
SMILES:
COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#Cc2cccc(c2)C(=O)c2ccc(cc2)C#N)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name (3):
5-[3-(4-シアノベンゾイル)フェニルエチニル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
4-[3-(2-{1-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-ヒドロキシオキソラン-2-イル]-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-イル}エチニル)ベンゾイル]ベンゾニトリル
4-[3-(2-{1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}ethynyl)benzoyl]benzonitrile
Other name (1):
5-[3-(4-Cyanobenzoyl)phenylethynyl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine
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