[3-[[1-[(2-azanyl-6-oxidanylidene-7H-purin-1-yl)oxymethyl]cyclopropyl]methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [3-[[1-[(2-azanyl-6-oxidanylidene-7H-purin-1-yl)oxymethyl]cyclopropyl]methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-[[1-[(2-amino-6-oxo-7H-purin-1-yl)oxymethyl]cyclopropyl]methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-[[1-[(2-amino-6-oxo-7H-purin-1-yl)oxymethyl]cyclopropyl]methoxy]-5-methylphenyl] ester IUPAC Name: [3-[[1-[(2-amino-6-oxo-7H-purin-1-yl)oxymethyl]cyclopropyl]methoxy]-5-methylphenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-[[1-[(2-amino-6-keto-7H-purin-1-yl)oxymethyl]cyclopropyl]methoxy]-5-methyl-phenyl] ester Formula: C24H22N6O6S MolecularWeight: 522.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCC3(CC3)CON4C(=O)C5=C(N=CN5)N=C4N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCC3(CC3)CON4C(=O)C5=C(N=CN5)N=C4N

InChI

InChI=1S/C24H22N6O6S/c1-15-8-17(10-18(9-15)36-37(32,33)19-5-3-2-4-16(19)11-25)34-12-24(6-7-24)13-35-30-22(31)20-21(28-14-27-20)29-23(30)26/h2-5,8-10,14H,6-7,12-13H2,1H3,(H2,26,29)(H,27,28)