AZD5904

CAT: 0127-BUP04827-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04827-04Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

618913-30-7

Purity

=98%

Smiles

O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2[nH]cnc12

Chemical Information

Azd-5904

CAS Number	618913-30-7
PubChem CID	10264211
IUPAC Name	3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one
Molecular Formula	C10H12N4O2S
Molecular Weight	252.30
XLogP	0.5
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	351

SMILES

C1C[C@@H](OC1)CN2C3=C(C(=O)NC2=S)NC=N3

InChI

InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1

InChIKey

RSPDBEVKURKEII-ZCFIWIBFSA-N

Chemical Structure

2D Structure

CAS: 618913-30-7

CID: 10264211

Formula: C10H12N4O2S

MW: 252.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.30
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	252.06809681
Monoisotopic Mass	252.06809681
Topological Polar Surface Area	102 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	351
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP07612-01	AZD5305

Catalog	Name
BA3443-10	AZD5904
TBI4058-25MG	AZD5904, Myeloperoxidase inhibitor