7-Benzyl-1h-Purine-2,6(3h,7h)-Dione - CAS 56160-64-6
Catalog: |
BB072538 |
Product Name: |
7-Benzyl-1h-Purine-2,6(3h,7h)-Dione |
CAS: |
56160-64-6 |
Synonyms: |
7-BENZYL-1H-PURINE-2,6(3H,7H)-DIONE; 7-Benzylxanthine; 7-benzyl-3H-purine-2,6-dione; 7-benzyl-3,7-dihydro-1H-purine-2,6-dione; 7-benzyl xanthine |
IUPAC Name: | 7-benzyl-3H-purine-2,6-dione |
Description: | 7-Benzyl-1h-Purine-2,6(3h,7h)-Dione (cas# 56160-64-6) is a useful research chemical. |
Molecular Weight: | 242.23 |
Molecular Formula: | C12H10N4O2 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3 |
InChI: | InChI=1S/C12H10N4O2/c17-11-9-10(14-12(18)15-11)13-7-16(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,17,18) |
InChI Key: | XDUTVTQACWYOMX-UHFFFAOYSA-N |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.08037557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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