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

Systemtic Name: 2-phenyl-9-(phenylmethyl)-6-(phenylmethylsulfanyl)purine Openeye Name: 9-benzyl-6-benzylsulfanyl-2-phenyl-purine CAS Name: 2-phenyl-9-(phenylmethyl)-6-(phenylmethylthio)purine IUPAC Name: 9-benzyl-6-benzylsulfanyl-2-phenylpurine Traditional Name: 9-benzyl-6-(benzylthio)-2-phenyl-purine Formula: C25H20N4S MolecularWeight: 408.5181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4S/c1-4-10-19(11-5-1)16-29-18-26-22-24(29)27-23(21-14-8-3-9-15-21)28-25(22)30-17-20-12-6-2-7-13-20/h1-15,18H,16-17H2