6-azanyl-2-(2-methylsulfanylethoxy)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2-methylsulfanylethoxy)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(2-methylsulfanylethoxy)-7H-purin-8-one CAS Name: 6-amino-2-[2-(methylthio)ethoxy]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(2-methylsulfanylethoxy)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-[2-(methylthio)ethoxy]-7H-purin-8-one Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CSCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H17N5O2S/c1-23-8-7-22-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)