N-[C-[9-(4-methoxyphenyl)-2-oxidanylidene-1H-purin-6-yl]-N-(4-methylphenyl)sulfonyl-carbonimidoyl]ethanamide

Systemtic Name: N-[C-[9-(4-methoxyphenyl)-2-oxidanylidene-1H-purin-6-yl]-N-(4-methylphenyl)sulfonyl-carbonimidoyl]ethanamide Openeye Name: N-[C-[9-(4-methoxyphenyl)-2-oxo-1H-purin-6-yl]-N-(p-tolylsulfonyl)carbonimidoyl]acetamide CAS Name: N-[[9-(4-methoxyphenyl)-2-oxo-1H-purin-6-yl]-(4-methylphenyl)sulfonyliminomethyl]acetamide IUPAC Name: N-[C-[9-(4-methoxyphenyl)-2-oxo-1H-purin-6-yl]-N-(4-methylphenyl)sulfonylcarbonimidoyl]acetamide Traditional Name: N-[C-[2-keto-9-(4-methoxyphenyl)-1H-purin-6-yl]-N-tosyl-carbonimidoyl]acetamide Formula: C22H20N6O5S MolecularWeight: 480.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=C3C(=NC(=O)N2)N(C=N3)C4=CC=C(C=C4)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=C3C(=NC(=O)N2)N(C=N3)C4=CC=C(C=C4)OC)NC(=O)C

InChI

InChI=1S/C22H20N6O5S/c1-13-4-10-17(11-5-13)34(31,32)27-20(24-14(2)29)18-19-21(26-22(30)25-18)28(12-23-19)15-6-8-16(33-3)9-7-15/h4-12H,1-3H3,(H,24,27,29)(H,25,26,30)