2-(6-cyano-2-oxidanylidene-1H-purin-9-yl)ethyl N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: 2-(6-cyano-2-oxidanylidene-1H-purin-9-yl)ethyl N-(4-methylphenyl)sulfonylcarbamate Openeye Name: 2-(6-cyano-2-oxo-1H-purin-9-yl)ethyl N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid 2-(6-cyano-2-oxo-1H-purin-9-yl)ethyl ester IUPAC Name: 2-(6-cyano-2-oxo-1H-purin-9-yl)ethyl N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid 2-(6-cyano-2-keto-1H-purin-9-yl)ethyl ester Formula: C16H14N6O5S MolecularWeight: 402.38456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCN2C=NC3=C(NC(=O)N=C32)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCN2C=NC3=C(NC(=O)N=C32)C#N

InChI

InChI=1S/C16H14N6O5S/c1-10-2-4-11(5-3-10)28(25,26)21-16(24)27-7-6-22-9-18-13-12(8-17)19-15(23)20-14(13)22/h2-5,9H,6-7H2,1H3,(H,21,24)(H,19,20,23)