1-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-4-phenyl-butane-1-sulfonamide

Systemtic Name: 1-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-4-phenyl-butane-1-sulfonamide Openeye Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-4-phenyl-butane-1-sulfonamide CAS Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-6-purinyl]amino]-4-phenyl-1-butanesulfonamide IUPAC Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]-4-phenylbutane-1-sulfonamide Traditional Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-4-phenyl-butane-1-sulfonamide Formula: C23H34N8O2S MolecularWeight: 486.63346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC(CCCC3=CC=CC=C3)S(=O)(=O)N)NC4CCC(CC4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC(CCCC3=CC=CC=C3)S(=O)(=O)N)NC4CCC(CC4)N

InChI

InChI=1S/C23H34N8O2S/c1-2-31-15-26-20-21(29-23(30-22(20)31)27-18-13-11-17(24)12-14-18)28-19(34(25,32)33)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,2,6,9-14,24H2,1H3,(H2,25,32,33)(H2,27,28,29,30)