6-[(4-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)-8-pyrrolidin-1-yl-purine

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)-8-pyrrolidin-1-yl-purine Openeye Name: 9-benzyl-6-[(4-nitrophenyl)methylsulfanyl]-8-pyrrolidin-1-yl-purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-(phenylmethyl)-8-(1-pyrrolidinyl)purine IUPAC Name: 9-benzyl-6-[(4-nitrophenyl)methylsulfanyl]-8-pyrrolidin-1-ylpurine Traditional Name: 9-benzyl-6-[(4-nitrobenzyl)thio]-8-pyrrolidino-purine Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O2S/c30-29(31)19-10-8-18(9-11-19)15-32-22-20-21(24-16-25-22)28(14-17-6-2-1-3-7-17)23(26-20)27-12-4-5-13-27/h1-3,6-11,16H,4-5,12-15H2