8-methyl-2-(phenylmethylsulfanyl)-3,7-dihydropurin-6-one

Systemtic Name: 8-methyl-2-(phenylmethylsulfanyl)-3,7-dihydropurin-6-one Openeye Name: 2-benzylsulfanyl-8-methyl-3,7-dihydropurin-6-one CAS Name: 8-methyl-2-(phenylmethylthio)-3,7-dihydropurin-6-one IUPAC Name: 2-benzylsulfanyl-8-methyl-3,7-dihydropurin-6-one Traditional Name: 2-(benzylthio)-8-methyl-3,7-dihydropurin-6-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(N1)C(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS/c1-8-14-10-11(15-8)16-13(17-12(10)18)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,15,16,17,18)