Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-

HCID 331502

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Basic information

CAS: 52379-96-1
Standard SMILES: Cc1nc(SCC(N)=O)nc2c1ncn2C
InChIKey: PYGFFZDQPMCLIS-UHFFFAOYSA-N
Molecular formula: C9H11N5OS
Average molar mass: 237.28 g/mol
Monoisotopic mass: 237.06843116

Names & identifiers

Preferred name: Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-
IUPAC: 2-(6,9-dimethylpurin-2-yl)sulfanylacetamide

Names & synonyms

52379-96-12-((6,9-Dimethyl-9H-purin-2-yl)thio)acetamide2-carbamoylmethylthio-6,9-dimethylpurineNSC324056Acetamide, 2-[(6,9-dimethyl-9H-purin-2-yl)thio]-SCHEMBL11546475DTXSID50318006PYGFFZDQPMCLIS-UHFFFAOYSA-NNSC-324056DS-0062172-[(6,9-Dimethyl-9H-purin-2-yl)sulfanyl]acetamide

Database identifiers

CAS: 52379-96-1
PubChem CID: 331502
DTXSID: DTXSID50318006

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 112 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 277

Related reactions

1 records

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HRID 1448481As productuspto-grants-1979_12

Compound notes

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