N-[4-(2-Amino-9-(3-azidopropyl)-purine-6-yloxymethyl)-benzyl]-2,2,2-trifluoro-acetamide

HCID 58989129

Basic information

Standard SMILES: [N-]=[N+]=NCCCn1cnc2c(OCc3ccc(CNC(=O)C(F)(F)F)cc3)nc(N)nc21
InChIKey: JKYJLUWRRMETLG-UHFFFAOYSA-N
Molecular formula: C18H18F3N9O2
Average molar mass: 449.4 g/mol
Monoisotopic mass: 449.15355534

Preferred name: N-[4-(2-Amino-9-(3-azidopropyl)-purine-6-yloxymethyl)-benzyl]-2,2,2-trifluoro-acetamide
IUPAC: N-[[4-[[2-amino-9-(3-azidopropyl)purin-6-yl]oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide

N-[4-(2-Amino-9-(3-azidopropyl)-purine-6-yloxymethyl)-benzyl]-2,2,2-trifluoro-acetamideSCHEMBL14383615

6 records

HRID 665825As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1543408As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1575584As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1695086As productuspto-grants-2012_04

HRID 1695087As reactantuspto-grants-2012_04

HRID 1695088As reactantuspto-grants-2012_04

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Standard SMILES: [N-]=[N+]=NCCCn1cnc2c(OCc3ccc(CNC(=O)C(F)(F)F)cc3)nc(N)nc21
InChIKey: JKYJLUWRRMETLG-UHFFFAOYSA-N
Molecular formula: C18H18F3N9O2
Average molar mass: 449.4 g/mol
Monoisotopic mass: 449.15355534

Preferred name: N-[4-(2-Amino-9-(3-azidopropyl)-purine-6-yloxymethyl)-benzyl]-2,2,2-trifluoro-acetamide
IUPAC: N-[[4-[[2-amino-9-(3-azidopropyl)purin-6-yl]oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide