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

Systemtic Name: [3-methoxy-4-(7H-purin-8-yl)phenyl] ethanesulfonate Openeye Name: [3-methoxy-4-(7H-purin-8-yl)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-methoxy-4-(7H-purin-8-yl)phenyl] ester IUPAC Name: [3-methoxy-4-(7H-purin-8-yl)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-methoxy-4-(7H-purin-8-yl)phenyl] ester Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC(=C(C=C1)C2=NC3=NC=NC=C3N2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC(=C(C=C1)C2=NC3=NC=NC=C3N2)OC

InChI

InChI=1S/C14H14N4O4S/c1-3-23(19,20)22-9-4-5-10(12(6-9)21-2)13-17-11-7-15-8-16-14(11)18-13/h4-8H,3H2,1-2H3,(H,15,16,17,18)