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

Systemtic Name: 2-(phenylmethylsulfanyl)-3,7-dihydropurin-6-one Openeye Name: 2-benzylsulfanyl-3,7-dihydropurin-6-one CAS Name: 2-(phenylmethylthio)-3,7-dihydropurin-6-one IUPAC Name: 2-benzylsulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-(benzylthio)-3,7-dihydropurin-6-one Formula: C12H10N4OS MolecularWeight: 258.299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C12H10N4OS/c17-11-9-10(14-7-13-9)15-12(16-11)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16,17)