9-(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonyl-2-oxidanylidene-1H-purine-6-carboximidamide

Systemtic Name: 9-(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonyl-2-oxidanylidene-1H-purine-6-carboximidamide Openeye Name: 9-(4-methoxyphenyl)-2-oxo-N'-(p-tolylsulfonyl)-1H-purine-6-carboxamidine CAS Name: 9-(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-purine-6-carboximidamide IUPAC Name: 9-(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-purine-6-carboximidamide Traditional Name: 2-keto-9-(4-methoxyphenyl)-N'-tosyl-1H-purine-6-carboxamidine Formula: C20H18N6O4S MolecularWeight: 438.45972

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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)N

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)\N

InChI

InChI=1S/C20H18N6O4S/c1-12-3-9-15(10-4-12)31(28,29)25-18(21)16-17-19(24-20(27)23-16)26(11-22-17)13-5-7-14(30-2)8-6-13/h3-11H,1-2H3,(H2,21,25)(H,23,24,27)