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[3-methoxy-4-(6-oxidanylidenepurin-8-yl)phenyl] methanesulfonate

[3-methoxy-4-(6-oxidanylidenepurin-8-yl)phenyl] methanesulfonate

Systemtic Name:[3-methoxy-4-(6-oxidanylidenepurin-8-yl)phenyl] methanesulfonate
Openeye Name:[3-methoxy-4-(6-oxopurin-8-yl)phenyl] methanesulfonate
CAS Name:methanesulfonic acid [3-methoxy-4-(6-oxo-8-purinyl)phenyl] ester
IUPAC Name:[3-methoxy-4-(6-oxopurin-8-yl)phenyl] methanesulfonate
Traditional Name:methanesulfonic acid [4-(6-ketopurin-8-yl)-3-methoxy-phenyl] ester
Formula: C13H10N4O5S
MolecularWeight: 334.3073
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC=NC(=O)C3=N2


Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC=NC(=O)C3=N2


InChI

InChI=1S/C13H10N4O5S/c1-21-9-5-7(22-23(2,19)20)3-4-8(9)11-16-10-12(17-11)14-6-15-13(10)18/h3-6H,1-2H3


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