carbamic acid; 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]-N-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: carbamic acid; 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]-N-methyl-N-phenyl-benzenesulfonamide Openeye Name: carbamic acid; 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]-N-methyl-N-phenyl-benzenesulfonamide CAS Name: carbamic acid; 4-[[2-(cyclohexylamino)-9-ethyl-6-purinyl]amino]-N-methyl-N-phenylbenzenesulfonamide IUPAC Name: carbamic acid; 4-[[2-(cyclohexylamino)-9-ethylpurin-6-yl]amino]-N-methyl-N-phenylbenzenesulfonamide Traditional Name: carbamic acid; 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]-N-methyl-N-phenyl-benzenesulfonamide Formula: C27H34N8O4S MolecularWeight: 566.67506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4)NC5CCCCC5.C(=O)(N)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4)NC5CCCCC5.C(=O)(N)O

InChI

InChI=1S/C26H31N7O2S.CH3NO2/c1-3-33-18-27-23-24(30-26(31-25(23)33)29-19-10-6-4-7-11-19)28-20-14-16-22(17-15-20)36(34,35)32(2)21-12-8-5-9-13-21;2-1(3)4/h5,8-9,12-19H,3-4,6-7,10-11H2,1-2H3,(H2,28,29,30,31);2H2,(H,3,4)