2-iodanyl-9-(oxan-2-yl)-6-(phenylmethylsulfanyl)purine

Systemtic Name: 2-iodanyl-9-(oxan-2-yl)-6-(phenylmethylsulfanyl)purine Openeye Name: 6-benzylsulfanyl-2-iodo-9-tetrahydropyran-2-yl-purine CAS Name: 2-iodo-9-(2-oxanyl)-6-(phenylmethylthio)purine IUPAC Name: 6-benzylsulfanyl-2-iodo-9-(oxan-2-yl)purine Traditional Name: 6-(benzylthio)-2-iodo-9-tetrahydropyran-2-yl-purine Formula: C17H17IN4OS MolecularWeight: 452.31255

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)I

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)I

InChI

InChI=1S/C17H17IN4OS/c18-17-20-15-14(19-11-22(15)13-8-4-5-9-23-13)16(21-17)24-10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2