[3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenyl] methanesulfonate

Systemtic Name: [3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenyl] methanesulfonate Openeye Name: [3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenyl] ester IUPAC Name: [3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenyl] ester Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC(=NC=C3N2)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC(=NC=C3N2)OC

InChI

InChI=1S/C15H16N4O5S/c1-4-23-12-7-9(24-25(3,20)21)5-6-10(12)13-17-11-8-16-15(22-2)19-14(11)18-13/h5-8H,4H2,1-3H3,(H,16,17,18,19)