AG003AHO

1202402-40-1 | 7-(5-Methyl-2-furanyl)-3-[[6-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]-2-pyridinyl]methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-amine

AG003AHO

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CAS Number	1202402-40-1
Catalog Number	AG003AHO(AGN-PC-0WGGBT)
Chemical Name	7-(5-Methyl-2-furanyl)-3-[[6-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]-2-pyridinyl]methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-amine
IUPAC Name	7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]pyridin-2-yl]methyl]triazolo[4,5-d]pyrimidin-5-amine
InChI	InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1
InChI Key	KURQKNMKCGYWRJ-HNNXBMFYSA-N
MDL Number	MFCD31540410
Molecular Formula	C20H21N7O3
Molecular Weight	407.4258
SMILES	CC1=CC=C(O1)C=1C2=C(N=C(N1)N)N(N=N2)CC2=NC(=CC=C2)CO[C@@H]2COCC2
UNII	8KFO2187CP
Synonyms	CPI-444, ciforadenant, 1202402-40-1, UNII-8KFO2187CP, 8KFO2187CP, CPI 444, V81444, V-81444, CPI444, (S)-7-(5-methylfuran-2-yl)-3-((6-(((tetrahydrofuran-3-yl)oxy)methyl)pyridin-2-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, V81444;(S)-7-(5-methylfuran-2-yl)-3-((6-(((tetrahydrofuran-3-yl)oxy)methyl)pyridin-2-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, Ciforadenant [INN], SCHEMBL536782, GTPL10190, BCP20881, EX-A1716, ACN-051237, CS-7627, HY-101978, V 81444, 3H-1,2,3-Triazolo(4,5-d)pyrimidin-5-amine, 7-(5-methyl-2-furanyl)-3-((6-((((3S)-tetrahydro-3-furanyl)oxy)methyl)-2-pyridinyl)methyl)-, 7-(5-Methyl-2-furanyl)-3-[[6-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]-2-pyridinyl]methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-amine, 7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]pyridin-2-yl]methyl]triazolo[4,5-d]pyrimidin-5-amine, KURQKNMKCGYWRJ-HNNXBMFYSA-N,

Complexity	573
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	407.171g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	407.434g/mol
Monoisotopic Mass	407.171g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	127A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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