Chem
J-GLOBAL ID:200907082013855362
Nikkaji number:J732.116C
1-(2-Deoxy-4-thio-β-D-erythro-pentofuranosyl)-5-[(E)-2-chloroethenyl]uracil
1-(2-デオキシ-4-チオ-β-D-erythro-ペントフラノシル)-5-[(E)-2-クロロエテニル]ウラシル
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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:
C11 H13 ClN2 O4 S
Molecular formula furigana:
C11-H13-CL-N2-O4-S
Molecular weight:
304.750
InChI:
InChI=1S/C11H13ClN2O4S/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1
InChI key:
XMGVDZBJLKYMNE-PIXDULNESA-N
SMILES:
OC[C@H]1S[C@H](C[C@@H]1O)n1cc(/C=C/Cl)c(=O)[nH]c1=O
Systematic name (3):
1-(2-デオキシ-4-チオ-β-D-erythro-ペントフラノシル)-5-[(E)-2-クロロエテニル]ウラシル
5-[(1E)-2-クロロエテニル]-1-[(2R,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)チオラン-2-イル]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
5-[(1E)-2-chloroethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
1-(2-Deoxy-4-thio-β-D-erythro-pentofuranosyl)-5-[(E)-2-chloroethenyl]uracil
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