2-(6-cyano-2-methyl-purin-9-yl)ethyl N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: 2-(6-cyano-2-methyl-purin-9-yl)ethyl N-(4-methylphenyl)sulfonylcarbamate Openeye Name: 2-(6-cyano-2-methyl-purin-9-yl)ethyl N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid 2-(6-cyano-2-methyl-9-purinyl)ethyl ester IUPAC Name: 2-(6-cyano-2-methylpurin-9-yl)ethyl N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid 2-(6-cyano-2-methyl-purin-9-yl)ethyl ester Formula: C17H16N6O4S MolecularWeight: 400.41174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O4S/c1-11-3-5-13(6-4-11)28(25,26)22-17(24)27-8-7-23-10-19-15-14(9-18)20-12(2)21-16(15)23/h3-6,10H,7-8H2,1-2H3,(H,22,24)