6-chloranyl-2-ethyl-9-(phenylmethyl)-8-(phenylmethylsulfanyl)purine

Systemtic Name: 6-chloranyl-2-ethyl-9-(phenylmethyl)-8-(phenylmethylsulfanyl)purine Openeye Name: 9-benzyl-8-benzylsulfanyl-6-chloro-2-ethyl-purine CAS Name: 6-chloro-2-ethyl-9-(phenylmethyl)-8-(phenylmethylthio)purine IUPAC Name: 9-benzyl-8-benzylsulfanyl-6-chloro-2-ethylpurine Traditional Name: 9-benzyl-8-(benzylthio)-6-chloro-2-ethyl-purine Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)Cl)N=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=C(C(=N1)Cl)N=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4S/c1-2-17-23-19(22)18-20(24-17)26(13-15-9-5-3-6-10-15)21(25-18)27-14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3