9-(phenylmethyl)-6-(phenylmethylsulfanyl)-8-pyrrolidin-1-yl-purine

Systemtic Name: 9-(phenylmethyl)-6-(phenylmethylsulfanyl)-8-pyrrolidin-1-yl-purine Openeye Name: 9-benzyl-6-benzylsulfanyl-8-pyrrolidin-1-yl-purine CAS Name: 9-(phenylmethyl)-6-(phenylmethylthio)-8-(1-pyrrolidinyl)purine IUPAC Name: 9-benzyl-6-benzylsulfanyl-8-pyrrolidin-1-ylpurine Traditional Name: 9-benzyl-6-(benzylthio)-8-pyrrolidino-purine Formula: C23H23N5S MolecularWeight: 401.52722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=CC=C5

InChI

InChI=1S/C23H23N5S/c1-3-9-18(10-4-1)15-28-21-20(26-23(28)27-13-7-8-14-27)22(25-17-24-21)29-16-19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2