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

Systemtic Name: N-(2,2-diphenylethyl)-2-methylsulfanyl-9-(oxan-2-yl)purin-6-amine Openeye Name: N-(2,2-diphenylethyl)-2-methylsulfanyl-9-tetrahydropyran-2-yl-purin-6-amine CAS Name: N-(2,2-diphenylethyl)-2-(methylthio)-9-(2-oxanyl)-6-purinamine IUPAC Name: N-(2,2-diphenylethyl)-2-methylsulfanyl-9-(oxan-2-yl)purin-6-amine Traditional Name: 2,2-diphenylethyl-[2-(methylthio)-9-tetrahydropyran-2-yl-purin-6-yl]amine Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5CCCCO5

Isomeric SMILES

CSC1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5CCCCO5

InChI

InChI=1S/C25H27N5OS/c1-32-25-28-23(22-24(29-25)30(17-27-22)21-14-8-9-15-31-21)26-16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20-21H,8-9,14-16H2,1H3,(H,26,28,29)