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THX-B

CAT: 0607-BA5628-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5628-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1372206-64-8
Form
A solid
Molecular Formula
C16H24N6O4
Molecular Weight
364.40
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-N-(1-methylethyl)-N-[[(1-methylethyl)amino]carbonyl]-2,6-dioxo-
CAS Number1372206-64-8
PubChem CID68352357
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)acetamide
Molecular FormulaC16H24N6O4
Molecular Weight364.40
XLogP0.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity608
SMILES
CC(C)NC(=O)N(C(C)C)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C16H24N6O4/c1-9(2)18-15(25)22(10(3)4)11(23)7-21-8-17-13-12(21)14(24)20(6)16(26)19(13)5/h8-10H,7H2,1-6H3,(H,18,25)
InChIKey
NDUQXXCBPZEHEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-N-(1-methylethyl)-N-[[(1-methylethyl)amino]carbonyl]-2,6-dioxo-
CAS: 1372206-64-8
CID: 68352357
Formula: C16H24N6O4
MW: 364.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.40
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass364.18590327
Monoisotopic Mass364.18590327
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity608
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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