9-(oxan-2-yl)-6-[2-(phenylmethylsulfanyl)ethyl]purine

Systemtic Name: 9-(oxan-2-yl)-6-[2-(phenylmethylsulfanyl)ethyl]purine Openeye Name: 6-(2-benzylsulfanylethyl)-9-tetrahydropyran-2-yl-purine CAS Name: 9-(2-oxanyl)-6-[2-(phenylmethylthio)ethyl]purine IUPAC Name: 6-(2-benzylsulfanylethyl)-9-(oxan-2-yl)purine Traditional Name: 6-[2-(benzylthio)ethyl]-9-tetrahydropyran-2-yl-purine Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C(N=CN=C32)CCSCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=CN=C32)CCSCC4=CC=CC=C4

InChI

InChI=1S/C19H22N4OS/c1-2-6-15(7-3-1)12-25-11-9-16-18-19(21-13-20-16)23(14-22-18)17-8-4-5-10-24-17/h1-3,6-7,13-14,17H,4-5,8-12H2