6-(diphenylmethyl)sulfanyl-9-pyrrolidin-1-yl-purine

Systemtic Name: 6-(diphenylmethyl)sulfanyl-9-pyrrolidin-1-yl-purine Openeye Name: 6-benzhydrylsulfanyl-9-pyrrolidin-1-yl-purine CAS Name: 6-[(diphenylmethyl)thio]-9-(1-pyrrolidinyl)purine IUPAC Name: 6-benzhydrylsulfanyl-9-pyrrolidin-1-ylpurine Traditional Name: 6-(benzhydrylthio)-9-pyrrolidino-purine Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)N2C=NC3=C2N=CN=C3SC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)N2C=NC3=C2N=CN=C3SC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5S/c1-3-9-17(10-4-1)20(18-11-5-2-6-12-18)28-22-19-21(23-15-24-22)27(16-25-19)26-13-7-8-14-26/h1-6,9-12,15-16,20H,7-8,13-14H2