1-[5-methoxy-2-(7H-purin-8-yl)phenoxy]propane-1-thiol

Systemtic Name: 1-[5-methoxy-2-(7H-purin-8-yl)phenoxy]propane-1-thiol Openeye Name: 1-[5-methoxy-2-(7H-purin-8-yl)phenoxy]propane-1-thiol CAS Name: 1-[5-methoxy-2-(7H-purin-8-yl)phenoxy]-1-propanethiol IUPAC Name: 1-[5-methoxy-2-(7H-purin-8-yl)phenoxy]propane-1-thiol Traditional Name: 1-[5-methoxy-2-(7H-purin-8-yl)phenoxy]propane-1-thiol Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=C(C=CC(=C1)OC)C2=NC3=NC=NC=C3N2)S

Isomeric SMILES

CCC(OC1=C(C=CC(=C1)OC)C2=NC3=NC=NC=C3N2)S

InChI

InChI=1S/C15H16N4O2S/c1-3-13(22)21-12-6-9(20-2)4-5-10(12)14-18-11-7-16-8-17-15(11)19-14/h4-8,13,22H,3H2,1-2H3,(H,16,17,18,19)