6-chloranyl-2-(phenylmethylsulfanyl)-9-propan-2-yl-purine

Systemtic Name: 6-chloranyl-2-(phenylmethylsulfanyl)-9-propan-2-yl-purine Openeye Name: 2-benzylsulfanyl-6-chloro-9-isopropyl-purine CAS Name: 6-chloro-2-(phenylmethylthio)-9-propan-2-ylpurine IUPAC Name: 2-benzylsulfanyl-6-chloro-9-propan-2-ylpurine Traditional Name: 2-(benzylthio)-6-chloro-9-isopropyl-purine Formula: C15H15ClN4S MolecularWeight: 318.8244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C15H15ClN4S/c1-10(2)20-9-17-12-13(16)18-15(19-14(12)20)21-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3