9-ethyl-2,6-bis(phenylmethylsulfanyl)purine

Systemtic Name: 9-ethyl-2,6-bis(phenylmethylsulfanyl)purine Openeye Name: 2,6-bis(benzylsulfanyl)-9-ethyl-purine CAS Name: 9-ethyl-2,6-bis(phenylmethylthio)purine IUPAC Name: 2,6-bis(benzylsulfanyl)-9-ethylpurine Traditional Name: 2,6-bis(benzylthio)-9-ethyl-purine Formula: C21H20N4S2 MolecularWeight: 392.5403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4S2/c1-2-25-15-22-18-19(25)23-21(27-14-17-11-7-4-8-12-17)24-20(18)26-13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3