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

Systemtic Name: 6-chloranyl-2-phenyl-9-(phenylmethyl)-8-(phenylmethylsulfanyl)purine Openeye Name: 9-benzyl-8-benzylsulfanyl-6-chloro-2-phenyl-purine CAS Name: 6-chloro-2-phenyl-9-(phenylmethyl)-8-(phenylmethylthio)purine IUPAC Name: 9-benzyl-8-benzylsulfanyl-6-chloro-2-phenylpurine Traditional Name: 9-benzyl-8-(benzylthio)-6-chloro-2-phenyl-purine Formula: C25H19ClN4S MolecularWeight: 442.96316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C4=CC=CC=C4)Cl)N=C2SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C4=CC=CC=C4)Cl)N=C2SCC5=CC=CC=C5

InChI

InChI=1S/C25H19ClN4S/c26-22-21-24(29-23(28-22)20-14-8-3-9-15-20)30(16-18-10-4-1-5-11-18)25(27-21)31-17-19-12-6-2-7-13-19/h1-15H,16-17H2