2-[4-(8-ethyl-2,6-dimethyl-purin-9-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: 2-[4-(8-ethyl-2,6-dimethyl-purin-9-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate Openeye Name: 2-[4-(8-ethyl-2,6-dimethyl-purin-9-yl)phenyl]ethyl N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid 2-[4-(8-ethyl-2,6-dimethyl-9-purinyl)phenyl]ethyl ester IUPAC Name: 2-[4-(8-ethyl-2,6-dimethylpurin-9-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid 2-[4-(8-ethyl-2,6-dimethyl-purin-9-yl)phenyl]ethyl ester Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=C(N=C2N1C3=CC=C(C=C3)CCOC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C)C

Isomeric SMILES

CCC1=NC2=C(N=C(N=C2N1C3=CC=C(C=C3)CCOC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C)C

InChI

InChI=1S/C25H27N5O4S/c1-5-22-28-23-17(3)26-18(4)27-24(23)30(22)20-10-8-19(9-11-20)14-15-34-25(31)29-35(32,33)21-12-6-16(2)7-13-21/h6-13H,5,14-15H2,1-4H3,(H,29,31)