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KF 20274

CAT: 0013-GTR19209403-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209403-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KF 20274
CAS Number
143394-68-7
Smiles
C (CC) N1C=2N=C (C34C5CC (C3) CC (C4) C5) NC2C=6N (C1=O) C[C@@H] (CC) N6
Molecular Formula
C21H29N5O
Molecular Weight
367.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7,8-Dnipo
CAS Number143394-68-7
PubChem CID64634
IUPAC Name8-ethyl-4-propyl-2-(3-tricyclo[3.3.1.03,7]nonanyl)-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
Molecular FormulaC21H29N5O
Molecular Weight367.5
XLogP3.2
Topological Polar Surface Area60.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity797
SMILES
CCCN1C2=NC(=NC2=C3NC(CN3C1=O)CC)C45CC6CC(C4)CC5C6
InChI
InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3
InChIKey
KSNFSPWAGPTPTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7,8-Dnipo
CAS: 143394-68-7
CID: 64634
Formula: C21H29N5O
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass367.23721057
Monoisotopic Mass367.23721057
Topological Polar Surface Area60.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity797
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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