Chem
J-GLOBAL ID:201407069368896772
Nikkaji number:J3.237.079I
[[[6-(4-Cyclopropylphenyl)thieno[2,3-d]pyrimidine-4-yl]amino]methylene]bisphosphonic acid
[[[6-(4-シクロプロピルフェニル)チエノ[2,3-d]ピリミジン-4-イル]アミノ]メチレン]ビスホスホン酸
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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:
C16 H17 N3 O6 P2 S
Molecular formula furigana:
C16-H17-N3-O6-P2-S
Molecular weight:
441.330
InChI:
InChI=1S/C16H17N3O6P2S/c20-26(21,22)16(27(23,24)25)19-14-12-7-13(28-15(12)18-8-17-14)11-5-3-10(4-6-11)9-1-2-9/h3-9,16H,1-2H2,(H,17,18,19)(H2,20,21,22)(H2,23,24,25)
InChI key:
VIGDNIIDHDWALF-UHFFFAOYSA-N
SMILES:
OP(=O)(O)C(Nc1ncnc2sc(cc12)c1ccc(cc1)C1CC1)P(=O)(O)O
Systematic name (3):
[[[6-(4-シクロプロピルフェニル)チエノ[2,3-d]ピリミジン-4-イル]アミノ]メチレン]ビスホスホン酸
({[6-(4-シクロプロピルフェニル)チエノ[2,3-d]ピリミジン-4-イル]アミノ}(ホスホノ)メチル)ホスホン酸
({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}(phosphono)methyl)phosphonic acid
Other name (1):
[[[6-(4-Cyclopropylphenyl)thieno[2,3-d]pyrimidine-4-yl]amino]methylene]bisphosphonic acid
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