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

Systemtic Name: 9-(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonyl-2-oxidanylidene-1H-purine-6-carboximidamide Openeye Name: 9-(2-hydroxyethyl)-2-oxo-N'-(p-tolylsulfonyl)-1H-purine-6-carboxamidine CAS Name: 9-(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-purine-6-carboximidamide IUPAC Name: 9-(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonyl-2-oxo-1H-purine-6-carboximidamide Traditional Name: 9-(2-hydroxyethyl)-2-keto-N'-tosyl-1H-purine-6-carboxamidine Formula: C15H16N6O4S MolecularWeight: 376.39034

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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)CCO)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C2=C3C(=NC(=O)N2)N(C=N3)CCO)\N

InChI

InChI=1S/C15H16N6O4S/c1-9-2-4-10(5-3-9)26(24,25)20-13(16)11-12-14(19-15(23)18-11)21(6-7-22)8-17-12/h2-5,8,22H,6-7H2,1H3,(H2,16,20)(H,18,19,23)