6-[(3-chlorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine

Systemtic Name: 6-[(3-chlorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine Openeye Name: 6-[(3-chlorophenyl)methylsulfanyl]-9-tetrahydropyran-2-yl-purine CAS Name: 6-[(3-chlorophenyl)methylthio]-9-(2-oxanyl)purine IUPAC Name: 6-[(3-chlorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine Traditional Name: 6-[(3-chlorobenzyl)thio]-9-tetrahydropyran-2-yl-purine Formula: C17H17ClN4OS MolecularWeight: 360.86108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H17ClN4OS/c18-13-5-3-4-12(8-13)9-24-17-15-16(19-10-20-17)22(11-21-15)14-6-1-2-7-23-14/h3-5,8,10-11,14H,1-2,6-7,9H2