8-azanyl-2-methylsulfanyl-3-(phenylmethyl)-7H-purin-6-one

Systemtic Name: 8-azanyl-2-methylsulfanyl-3-(phenylmethyl)-7H-purin-6-one Openeye Name: 8-amino-3-benzyl-2-methylsulfanyl-7H-purin-6-one CAS Name: 8-amino-2-(methylthio)-3-(phenylmethyl)-7H-purin-6-one IUPAC Name: 8-amino-3-benzyl-2-methylsulfanyl-7H-purin-6-one Traditional Name: 8-amino-3-benzyl-2-(methylthio)-7H-purin-6-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1CC3=CC=CC=C3)N=C(N2)N

Isomeric SMILES

CSC1=NC(=O)C2=C(N1CC3=CC=CC=C3)N=C(N2)N

InChI

InChI=1S/C13H13N5OS/c1-20-13-17-11(19)9-10(16-12(14)15-9)18(13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,14,15,16)