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

Systemtic Name: 9-(4-cyanophenyl)-N'-(4-methylphenyl)sulfonyl-2-oxidanylidene-1H-purine-6-carboximidamide Openeye Name: 9-(4-cyanophenyl)-2-oxo-N'-(p-tolylsulfonyl)-1H-purine-6-carboxamidine CAS Name: 9-(4-cyanophenyl)-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-purine-6-carboximidamide IUPAC Name: 9-(4-cyanophenyl)-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-purine-6-carboximidamide Traditional Name: 9-(4-cyanophenyl)-2-keto-N'-tosyl-1H-purine-6-carboxamidine Formula: C20H15N7O3S MolecularWeight: 433.4432

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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)C#N)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)C#N)\N

InChI

InChI=1S/C20H15N7O3S/c1-12-2-8-15(9-3-12)31(29,30)26-18(22)16-17-19(25-20(28)24-16)27(11-23-17)14-6-4-13(10-21)5-7-14/h2-9,11H,1H3,(H2,22,26)(H,24,25,28)