8-methylsulfanyl-2-(2-propoxyphenyl)purin-6-one

Systemtic Name: 8-methylsulfanyl-2-(2-propoxyphenyl)purin-6-one Openeye Name: 8-methylsulfanyl-2-(2-propoxyphenyl)purin-6-one CAS Name: 8-(methylthio)-2-(2-propoxyphenyl)-6-purinone IUPAC Name: 8-methylsulfanyl-2-(2-propoxyphenyl)purin-6-one Traditional Name: 8-(methylthio)-2-(2-propoxyphenyl)purin-6-one Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=NC(=NC3=N2)SC

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=NC(=NC3=N2)SC

InChI

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