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

Systemtic Name: 8-ethyl-2-(phenylmethylsulfanyl)-3,7-dihydropurin-6-one Openeye Name: 2-benzylsulfanyl-8-ethyl-3,7-dihydropurin-6-one CAS Name: 8-ethyl-2-(phenylmethylthio)-3,7-dihydropurin-6-one IUPAC Name: 2-benzylsulfanyl-8-ethyl-3,7-dihydropurin-6-one Traditional Name: 2-(benzylthio)-8-ethyl-3,7-dihydropurin-6-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=NC2=C(N1)C(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C14H14N4OS/c1-2-10-15-11-12(16-10)17-14(18-13(11)19)20-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,15,16,17,18,19)