9-(methoxymethyl)-2-methylsulfanyl-3-phenyl-purin-6-one

Systemtic Name: 9-(methoxymethyl)-2-methylsulfanyl-3-phenyl-purin-6-one Openeye Name: 9-(methoxymethyl)-2-methylsulfanyl-3-phenyl-purin-6-one CAS Name: 9-(methoxymethyl)-2-(methylthio)-3-phenyl-6-purinone IUPAC Name: 9-(methoxymethyl)-2-methylsulfanyl-3-phenylpurin-6-one Traditional Name: 9-(methoxymethyl)-2-(methylthio)-3-phenyl-purin-6-one Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C=NC2=C1N(C(=NC2=O)SC)C3=CC=CC=C3

Isomeric SMILES

COCN1C=NC2=C1N(C(=NC2=O)SC)C3=CC=CC=C3

InChI

InChI=1S/C14H14N4O2S/c1-20-9-17-8-15-11-12(19)16-14(21-2)18(13(11)17)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3