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

Systemtic Name: 9-(4-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-oxidanylidene-1H-purine-6-carboximidamide Openeye Name: 2-oxo-9-(p-tolyl)-N'-(p-tolylsulfonyl)-1H-purine-6-carboxamidine CAS Name: 9-(4-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-purine-6-carboximidamide IUPAC Name: 9-(4-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-purine-6-carboximidamide Traditional Name: 2-keto-9-(p-tolyl)-N'-tosyl-1H-purine-6-carboxamidine Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C(NC(=O)N=C32)C(=NS(=O)(=O)C4=CC=C(C=C4)C)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C(NC(=O)N=C32)/C(=N/S(=O)(=O)C4=CC=C(C=C4)C)/N

InChI

InChI=1S/C20H18N6O3S/c1-12-3-7-14(8-4-12)26-11-22-17-16(23-20(27)24-19(17)26)18(21)25-30(28,29)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H2,21,25)(H,23,24,27)