N-((4-Oxo-1-phenyl-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide - CAS 951987-97-6
Catalog: |
BB058421 |
Product Name: |
N-((4-Oxo-1-phenyl-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide |
CAS: |
951987-97-6 |
Synonyms: |
N-[(4-hydroxy-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]acetamide; N-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]acetamide; N-((4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide |
IUPAC Name: | N-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]acetamide |
Description: | N-((4-Oxo-1-phenyl-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide is a useful research intermediate for organic synthesis. |
Molecular Weight: | 283.29 |
Molecular Formula: | C14H13N5O2 |
Canonical SMILES: | CC(=O)NCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1 |
InChI: | InChI=1S/C14H13N5O2/c1-9(20)15-8-12-17-13-11(14(21)18-12)7-16-19(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,20)(H,17,18,21) |
InChI Key: | AWNNSSWDXFMVNX-UHFFFAOYSA-N |
Complexity: | 458 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.10692467 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.10692467 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 88.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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