2-Amino-8-[(2-Oxo-2-Phenylethyl)sulfanyl]-1,9-Dihydro-6h-Purin-6-One
2-amino-8-phenacylsulfanyl-1,7-dihydropurin-6-one
Molecular Identity
2-Amino-8-[(2-Oxo-2-Phenylethyl)sulfanyl]-1,9-Dihydro-6h-Purin-6-One
2-amino-8-phenacylsulfanyl-1,7-dihydropurin-6-one
PubChem CID: 135526726
2D Structure
Properties
C13H11N5O2S
Molecular Formula
301.33
Molecular Weight
g/mol
301.0633
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
139
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
463
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)NC(=N3)NIsomeric SMILES
SMILES: C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)NC(=N3)NSynonyms(7)
CHEMBL32332012-Amino-8-[(2-Oxo-2-Phenylethyl)sulfanyl]-1,9-Dihydro-6h-Purin-6-One4m5gOprea1_012105BDBM50031523Q27467735YH1
Data from PubChem (NCBI)
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Molecular Structure
2-Amino-8-[(2-Oxo-2-Phenylethyl)sulfanyl]-1,9-Dihydro-6h-Purin-6-One
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Drug Network
Trials and conditions connected to 2-Amino-8-[(2-Oxo-2-Phenylethyl)sulfanyl]-1,9-Dihydro-6h-Purin-6-One
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