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

Systemtic Name: 9-(oxan-2-yl)-6-(phenylmethylsulfanyl)purine Openeye Name: 6-benzylsulfanyl-9-tetrahydropyran-2-yl-purine CAS Name: 9-(2-oxanyl)-6-(phenylmethylthio)purine IUPAC Name: 6-benzylsulfanyl-9-(oxan-2-yl)purine Traditional Name: 6-(benzylthio)-9-tetrahydropyran-2-yl-purine Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-2-6-13(7-3-1)10-23-17-15-16(18-11-19-17)21(12-20-15)14-8-4-5-9-22-14/h1-3,6-7,11-12,14H,4-5,8-10H2