6-[4-Amino-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide

SpectraBase Compound ID	K3uEpKkCGtC
InChI	InChI=1S/C11H14N5O6PS/c1-24-11-14-8(12)4-2-13-16(9(4)15-11)10-6(17)7-5(21-10)3-20-23(18,19)22-7/h2,5-7,10,17H,3H2,1H3,(H,18,19)(H2,12,14,15)
InChIKey	WVXVKBDTGCBCKT-UHFFFAOYSA-N Google Search
Mol Weight	375.3 g/mol
Molecular Formula	C11H14N5O6PS
Exact Mass	375.040241 g/mol

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SpectraBase Spectrum ID	moOW8sS9K1
Name	6-[4-Amino-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
Alternate Name(s)	4-Amino-6-methylthio-1-.beta.-d-ribofuranosylpyrazolo[3,4-d]pyrimidine 3',5'-cyclic phosphate 6-[4-amino-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol 6-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 6-(4-amino-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 6-(4-azanyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
CAS Registry Number	115969-62-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C11H14N5O6PS
InChI	InChI=1S/C11H14N5O6PS/c1-24-11-14-8(12)4-2-13-16(9(4)15-11)10-6(17)7-5(21-10)3-20-23(18,19)22-7/h2,5-7,10,17H,3H2,1H3,(H,18,19)(H2,12,14,15)
InChIKey	WVXVKBDTGCBCKT-UHFFFAOYSA-N
Molecular Weight	375.296 g/mol
SMILES	OP1(OCC2C(C(C(O2)[n]2c3c(c(nc(n3)SC)N)cn2)O)O1)=O
SPLASH	splash10-0002-9700000000-b03ad246ddac0dbc4f16
Source of Spectrum	NP-13-7160-0
Wiley ID	1111243