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SR-1277

CAT: 0013-GTR19189639-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189639-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SR-1277
CAS Number
1446715-47-4
Field of Research
Metabolism Research, Stem Cell & Developmental Biology
Smiles
O=[N+] (C1=CC=CC2=C1NC (CNC3=NC (N4CCOCC4) =NC5=C3N=CN5C6=CSC=C6) =N2) [O-]
Molecular Formula
C21H19N9O3S
Molecular Weight
477.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-morpholinyl)-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine

2-(4-morpholinyl)-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine is a thiopurine.

CAS Number1446715-47-4
PubChem CID45100431
IUPAC Name2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]-9-thiophen-3-ylpurin-6-amine
Molecular FormulaC21H19N9O3S
Molecular Weight477.5
XLogP2.7
Topological Polar Surface Area171
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity726
SMILES
C1COCCN1C2=NC(=C3C(=N2)N(C=N3)C4=CSC=C4)NCC5=NC6=C(N5)C=CC=C6[N+](=O)[O-]
InChI
InChI=1S/C21H19N9O3S/c31-30(32)15-3-1-2-14-17(15)25-16(24-14)10-22-19-18-20(29(12-23-18)13-4-9-34-11-13)27-21(26-19)28-5-7-33-8-6-28/h1-4,9,11-12H,5-8,10H2,(H,24,25)(H,22,26,27)
InChIKey
FLKHSCQMBSUMSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-morpholinyl)-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine
CAS: 1446715-47-4
CID: 45100431
Formula: C21H19N9O3S
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass477.13315668
Monoisotopic Mass477.13315668
Topological Polar Surface Area171 Ų
Heavy Atom Count34
Formal Charge0
Complexity726
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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