6-methylsulfanyl-7-(phenylmethoxymethyl)-3-propyl-purin-2-one

Systemtic Name: 6-methylsulfanyl-7-(phenylmethoxymethyl)-3-propyl-purin-2-one Openeye Name: 7-(benzyloxymethyl)-6-methylsulfanyl-3-propyl-purin-2-one CAS Name: 6-(methylthio)-7-(phenylmethoxymethyl)-3-propyl-2-purinone IUPAC Name: 6-methylsulfanyl-7-(phenylmethoxymethyl)-3-propylpurin-2-one Traditional Name: 7-(benzoxymethyl)-6-(methylthio)-3-propyl-purin-2-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)N(C=N2)COCC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)N(C=N2)COCC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c1-3-9-21-15-14(16(24-2)19-17(21)22)20(11-18-15)12-23-10-13-7-5-4-6-8-13/h4-8,11H,3,9-10,12H2,1-2H3