8-(4-methoxyphenyl)-7-methyl-6-(phenylmethyl)sulfonyl-purine

Systemtic Name: 8-(4-methoxyphenyl)-7-methyl-6-(phenylmethyl)sulfonyl-purine Openeye Name: 6-benzylsulfonyl-8-(4-methoxyphenyl)-7-methyl-purine CAS Name: 8-(4-methoxyphenyl)-7-methyl-6-(phenylmethyl)sulfonylpurine IUPAC Name: 6-benzylsulfonyl-8-(4-methoxyphenyl)-7-methylpurine Traditional Name: 6-benzylsulfonyl-8-(4-methoxyphenyl)-7-methyl-purine Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=CN=C2S(=O)(=O)CC3=CC=CC=C3)N=C1C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(N=CN=C2S(=O)(=O)CC3=CC=CC=C3)N=C1C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H18N4O3S/c1-24-17-18(23-19(24)15-8-10-16(27-2)11-9-15)21-13-22-20(17)28(25,26)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3