6-methylsulfanyl-8-(phenylmethoxymethyl)-3-propyl-7H-purin-2-one

Systemtic Name: 6-methylsulfanyl-8-(phenylmethoxymethyl)-3-propyl-7H-purin-2-one Openeye Name: 8-(benzyloxymethyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one CAS Name: 6-(methylthio)-8-(phenylmethoxymethyl)-3-propyl-7H-purin-2-one IUPAC Name: 6-methylsulfanyl-8-(phenylmethoxymethyl)-3-propyl-7H-purin-2-one Traditional Name: 8-(benzoxymethyl)-6-(methylthio)-3-propyl-7H-purin-2-one Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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