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

Systemtic Name: 3-butyl-6-methylsulfanyl-7-(phenylmethoxymethyl)purin-2-one Openeye Name: 7-(benzyloxymethyl)-3-butyl-6-methylsulfanyl-purin-2-one CAS Name: 3-butyl-6-(methylthio)-7-(phenylmethoxymethyl)-2-purinone IUPAC Name: 3-butyl-6-methylsulfanyl-7-(phenylmethoxymethyl)purin-2-one Traditional Name: 7-(benzoxymethyl)-3-butyl-6-(methylthio)purin-2-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC1=O)SC)N(C=N2)COCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C(=NC1=O)SC)N(C=N2)COCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2S/c1-3-4-10-22-16-15(17(25-2)20-18(22)23)21(12-19-16)13-24-11-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3