Pentifylline structure

Pentifylline

1-hexyl-3,7-dimethylpurine-2,6-dione

CAS: 1028-33-7
Molecular Formula C13H20N4O2
Molecular Weight 264.32 g/mol
LogP 2.3
Topological Polar Surface Area 58.4 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 5
Exact Mass 264.15863
Heavy Atoms 19
Complexity 361.0

Chemical Identifiers

CAS Number 1028-33-7
SMILES CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
InChIKey MRWQRJMESRRJJB-UHFFFAOYSA-N

📖 Product Overview

Pentifylline (CAS: 1028-33-7) is a chemical compound with molecular formula C13H20N4O2 and molecular weight 264.32 g/mol. Its IUPAC systematic name is 1-hexyl-3,7-dimethylpurine-2,6-dione. LogP 2.3 Topological Polar Surface Area 58.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 264.15863 Heavy Atoms 19 Complexity 361.0 InChI Key: MRWQRJMESRRJJB-UHFFFAOYSA-N. SMILES: CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C.

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