2-(4-methylsulfanyl-2-propoxy-phenyl)purin-6-one

Systemtic Name: 2-(4-methylsulfanyl-2-propoxy-phenyl)purin-6-one Openeye Name: 2-(4-methylsulfanyl-2-propoxy-phenyl)purin-6-one CAS Name: 2-[4-(methylthio)-2-propoxyphenyl]-6-purinone IUPAC Name: 2-(4-methylsulfanyl-2-propoxyphenyl)purin-6-one Traditional Name: 2-[4-(methylthio)-2-propoxy-phenyl]purin-6-one Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)SC)C2=NC(=O)C3=NC=NC3=N2

Isomeric SMILES

CCCOC1=C(C=CC(=C1)SC)C2=NC(=O)C3=NC=NC3=N2

InChI

InChI=1S/C15H14N4O2S/c1-3-6-21-11-7-9(22-2)4-5-10(11)13-18-14-12(15(20)19-13)16-8-17-14/h4-5,7-8H,3,6H2,1-2H3