6-[(4-chlorophenyl)methylsulfanyl]-9-[(2S)-oxan-2-yl]-7H-purin-9-ium

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-9-[(2S)-oxan-2-yl]-7H-purin-9-ium Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-9-[(2S)-tetrahydropyran-2-yl]-7H-purin-9-ium CAS Name: 6-[(4-chlorophenyl)methylthio]-9-[(2S)-2-oxanyl]-7H-purin-9-ium IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-9-[(2S)-oxan-2-yl]-7H-purin-9-ium Traditional Name: 6-[(4-chlorobenzyl)thio]-9-[(2S)-tetrahydropyran-2-yl]-7H-purin-9-ium Formula: C17H18ClN4OS+ MolecularWeight: 361.86902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)[N+]2=CNC3=C2N=CN=C3SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCO[C@@H](C1)[N+]2=CNC3=C2N=CN=C3SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H17ClN4OS/c18-13-6-4-12(5-7-13)9-24-17-15-16(19-10-20-17)22(11-21-15)14-3-1-2-8-23-14/h4-7,10-11,14H,1-3,8-9H2/p+1/t14-/m0/s1