6-chloranyl-8-(4-methylsulfanylphenyl)-9-(oxan-2-yl)purine

Systemtic Name: 6-chloranyl-8-(4-methylsulfanylphenyl)-9-(oxan-2-yl)purine Openeye Name: 6-chloro-8-(4-methylsulfanylphenyl)-9-tetrahydropyran-2-yl-purine CAS Name: 6-chloro-8-[4-(methylthio)phenyl]-9-(2-oxanyl)purine IUPAC Name: 6-chloro-8-(4-methylsulfanylphenyl)-9-(oxan-2-yl)purine Traditional Name: 6-chloro-8-[4-(methylthio)phenyl]-9-tetrahydropyran-2-yl-purine Formula: C17H17ClN4OS MolecularWeight: 360.86108

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCO4)N=CN=C3Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCO4)N=CN=C3Cl

InChI

InChI=1S/C17H17ClN4OS/c1-24-12-7-5-11(6-8-12)16-21-14-15(18)19-10-20-17(14)22(16)13-4-2-3-9-23-13/h5-8,10,13H,2-4,9H2,1H3