Chem
J-GLOBAL ID:200907068357951287
Nikkaji number:J1.445.861A
4'-Ethynyl-2'-deoxyguanosine
4′-エチニル-2′-デオキシグアノシン
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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:
C12 H13 N5 O4
Molecular formula furigana:
C12-H13-N5-O4
Molecular weight:
291.267
InChI:
InChI=1S/C12H13N5O4/c1-2-12(4-18)6(19)3-7(21-12)17-5-14-8-9(17)15-11(13)16-10(8)20/h1,5-7,18-19H,3-4H2,(H3,13,15,16,20)/t6-,7+,12+/m0/s1
InChI key:
MPCMLKLBMSFTTJ-QRPMWFLTSA-N
SMILES:
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@](CO)(O1)C#C
Systematic name (4):
9-(4-C-エチニル-2-デオキシ-β-D-ribo-ペントフラノシル)-2-アミノ-9H-プリン-6(1H)-オン
4′-エチニル-2′-デオキシグアノシン
2-アミノ-9-[(2R,4S,5R)-5-エチニル-4-ヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-6,9-ジヒドロ-1H-プリン-6-オン
2-amino-9-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
Other name (2):
9-(4-C-Ethynyl-2-deoxy-β-D-ribo-pentofuranosyl)-2-amino-9H-purine-6(1H)-one
4′-Ethynyl-2′-deoxyguanosine
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