2-methylsulfanyl-9-(oxan-2-yl)-N-phenethyl-purin-6-amine

Systemtic Name: 2-methylsulfanyl-9-(oxan-2-yl)-N-phenethyl-purin-6-amine Openeye Name: 2-methylsulfanyl-N-phenethyl-9-tetrahydropyran-2-yl-purin-6-amine CAS Name: 2-(methylthio)-9-(2-oxanyl)-N-phenethyl-6-purinamine IUPAC Name: 2-methylsulfanyl-9-(oxan-2-yl)-N-phenethylpurin-6-amine Traditional Name: [2-(methylthio)-9-tetrahydropyran-2-yl-purin-6-yl]-phenethyl-amine Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)NCCC3=CC=CC=C3)N=CN2C4CCCCO4

Isomeric SMILES

CSC1=NC2=C(C(=N1)NCCC3=CC=CC=C3)N=CN2C4CCCCO4

InChI

InChI=1S/C19H23N5OS/c1-26-19-22-17(20-11-10-14-7-3-2-4-8-14)16-18(23-19)24(13-21-16)15-9-5-6-12-25-15/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,20,22,23)