9-Benzyl-2-butoxy-8-hydroxyadenine
6-amino-9-benzyl-2-butoxy-7H-purin-8-one
Molecular Identity
9-Benzyl-2-butoxy-8-hydroxyadenine
6-amino-9-benzyl-2-butoxy-7H-purin-8-one
PubChem CID: 9818270
2D Structure
Properties
C16H19N5O2
Molecular Formula
313.35
Molecular Weight
g/mol
313.1539
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
93.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
402
Complexity
SMILES
Canonical SMILES
SMILES: CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=CC=C3)NIsomeric SMILES
SMILES: CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=CC=C3)NSynonyms(20)
9-benzyl-2-butoxy-8-hydroxyadenineSA-2 hydroxyadenineRefChem:914723226906-84-96-amino-9-benzyl-2-butoxy-7H-purin-8(9H)-oneCHEMBL1509616-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one6-amino-9-benzyl-2-butoxy-8,9-dihydro-7H-purin-8-one6-amino-9-benzyl-2-butoxy-7H-purin-8-one9-benzyl-2-butoxy-8-oxoadenine6-Amino-9-benzyl-2-butoxy-9H-purin-8-olSCHEMBL510225SCHEMBL20740720US10457681, Compound BDTXSID20431291
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 9-Benzyl-2-butoxy-8-hydroxyadenine
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