[3-methoxy-4-(7H-purin-8-yl)phenyl] methanesulfonate

Systemtic Name: [3-methoxy-4-(7H-purin-8-yl)phenyl] methanesulfonate Openeye Name: [3-methoxy-4-(7H-purin-8-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-methoxy-4-(7H-purin-8-yl)phenyl] ester IUPAC Name: [3-methoxy-4-(7H-purin-8-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-methoxy-4-(7H-purin-8-yl)phenyl] ester Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC=NC=C3N2

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C13H12N4O4S/c1-20-11-5-8(21-22(2,18)19)3-4-9(11)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17)