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

Systemtic Name: [3-ethyl-4-(7H-purin-8-yl)phenyl] methanesulfonate Openeye Name: [3-ethyl-4-(7H-purin-8-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-ethyl-4-(7H-purin-8-yl)phenyl] ester IUPAC Name: [3-ethyl-4-(7H-purin-8-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-ethyl-4-(7H-purin-8-yl)phenyl] ester Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC=NC=C3N2

Isomeric SMILES

CCC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C14H14N4O3S/c1-3-9-6-10(21-22(2,19)20)4-5-11(9)13-17-12-7-15-8-16-14(12)18-13/h4-8H,3H2,1-2H3,(H,15,16,17,18)