N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide

HCID 304476

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Basic information

CAS: 57464-54-7
Standard SMILES: CSc1ncnc2c1ncn2N(CC1CO1)C(C)=O
InChIKey: GWXFWUNPXVGUDT-UHFFFAOYSA-N
Molecular formula: C11H13N5O2S
Average molar mass: 279.32 g/mol
Monoisotopic mass: 279.07899585

Names & identifiers

Preferred name: N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide
IUPAC: N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide

Names & synonyms

57464-54-7N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamideNSC196557DTXSID10307916NSC-196557DS-001955N-[6-(Methylsulfanyl)-9H-purin-9-yl]-N-[(oxiran-2-yl)methyl]acetamide

Database identifiers

CAS: 57464-54-7
PubChem CID: 304476
DTXSID: DTXSID10307916

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 102 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 358

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