4-methyl-N-[2-(6-methylsulfanylpurin-9-yl)oxan-3-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-(6-methylsulfanylpurin-9-yl)oxan-3-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-(6-methylsulfanylpurin-9-yl)tetrahydropyran-3-yl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[6-(methylthio)-9-purinyl]-3-oxanyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-(6-methylsulfanylpurin-9-yl)oxan-3-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[6-(methylthio)purin-9-yl]tetrahydropyran-3-yl]benzenesulfonamide Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCOC2N3C=NC4=C3N=CN=C4SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCOC2N3C=NC4=C3N=CN=C4SC

InChI

InChI=1S/C18H21N5O3S2/c1-12-5-7-13(8-6-12)28(24,25)22-14-4-3-9-26-18(14)23-11-21-15-16(23)19-10-20-17(15)27-2/h5-8,10-11,14,18,22H,3-4,9H2,1-2H3