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

Systemtic Name: 2-[9-(oxan-2-yl)purin-6-yl]sulfanylaniline Openeye Name: 2-(9-tetrahydropyran-2-ylpurin-6-yl)sulfanylaniline CAS Name: 2-[[9-(2-oxanyl)-6-purinyl]thio]aniline IUPAC Name: 2-[9-(oxan-2-yl)purin-6-yl]sulfanylaniline Traditional Name: [2-[(9-tetrahydropyran-2-ylpurin-6-yl)thio]phenyl]amine Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3SC4=CC=CC=C4N

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3SC4=CC=CC=C4N

InChI

InChI=1S/C16H17N5OS/c17-11-5-1-2-6-12(11)23-16-14-15(18-9-19-16)21(10-20-14)13-7-3-4-8-22-13/h1-2,5-6,9-10,13H,3-4,7-8,17H2