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Reference substances

Reference substances

IUPAC name:
2-[(2-acetamido-6-oxo-6,9-dihydro-1H-purin-9-yl)methoxy]-3-(4-methoxybenzoyloxy)propyl 4-methoxybenzoate

Inventory

Synonyms
Names:
2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl bis(4-methoxybenzoate)

Molecular and structural information

Molecular formula:
C27 H27 N5 O9
Molecular weight:
ca. 565.53
SMILES notation:
COc1ccc(cc1)C(=O)OCC(COC(=O)c1ccc(OC)cc1)OCn1cnc2c1N=C(NC2=O)NC(C)=O
InChl:
InChI=1S/C27H27N5O9/c1-16(33)29-27-30-23-22(24(34)31-27)28-14-32(23)15-41-21(12-39-25(35)17-4-8-19(37-2)9-5-17)13-40-26(36)18-6-10-20(38-3)11-7-18/h4-11,14,21H,12-13,15H2,1-3H3,(H2,29,30,31,33,34)
Structural formula:
Chemical structure

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