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

Systemtic Name: [3-propyl-4-(7H-purin-8-yl)phenyl] methanesulfonate Openeye Name: [3-propyl-4-(7H-purin-8-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-propyl-4-(7H-purin-8-yl)phenyl] ester IUPAC Name: [3-propyl-4-(7H-purin-8-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-propyl-4-(7H-purin-8-yl)phenyl] ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC=NC=C3N2

Isomeric SMILES

CCCC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C15H16N4O3S/c1-3-4-10-7-11(22-23(2,20)21)5-6-12(10)14-18-13-8-16-9-17-15(13)19-14/h5-9H,3-4H2,1-2H3,(H,16,17,18,19)