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

Systemtic Name: 6-azanyl-2-methylsulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-methylsulfanyl-7H-purin-8-one CAS Name: 6-amino-2-(methylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-methylsulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(methylthio)-7H-purin-8-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

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