2-[9-(oxan-2-yl)purin-6-yl]ethanethiol

Systemtic Name: 2-[9-(oxan-2-yl)purin-6-yl]ethanethiol Openeye Name: 2-(9-tetrahydropyran-2-ylpurin-6-yl)ethanethiol CAS Name: 2-[9-(2-oxanyl)-6-purinyl]ethanethiol IUPAC Name: 2-[9-(oxan-2-yl)purin-6-yl]ethanethiol Traditional Name: 2-(9-tetrahydropyran-2-ylpurin-6-yl)ethanethiol Formula: C12H16N4OS MolecularWeight: 264.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C(N=CN=C32)CCS

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=CN=C32)CCS

InChI

InChI=1S/C12H16N4OS/c18-6-4-9-11-12(14-7-13-9)16(8-15-11)10-3-1-2-5-17-10/h7-8,10,18H,1-6H2