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

Systemtic Name: [4-(2-methoxy-7H-purin-8-yl)-3-propoxy-phenyl] methanesulfonate Openeye Name: [4-(2-methoxy-7H-purin-8-yl)-3-propoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(2-methoxy-7H-purin-8-yl)-3-propoxyphenyl] ester IUPAC Name: [4-(2-methoxy-7H-purin-8-yl)-3-propoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2-methoxy-7H-purin-8-yl)-3-propoxy-phenyl] ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC(=NC=C3N2)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC(=NC=C3N2)OC

InChI

InChI=1S/C16H18N4O5S/c1-4-7-24-13-8-10(25-26(3,21)22)5-6-11(13)14-18-12-9-17-16(23-2)20-15(12)19-14/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19,20)