1-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-3-methyl-N-phenyl-butane-1-sulfonamide

Systemtic Name: 1-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-3-methyl-N-phenyl-butane-1-sulfonamide Openeye Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-3-methyl-N-phenyl-butane-1-sulfonamide CAS Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-6-purinyl]amino]-3-methyl-N-phenyl-1-butanesulfonamide IUPAC Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]-3-methyl-N-phenylbutane-1-sulfonamide Traditional Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-3-methyl-N-phenyl-butane-1-sulfonamide Formula: C24H36N8O2S MolecularWeight: 500.66004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC(CC(C)C)S(=O)(=O)NC3=CC=CC=C3)NC4CCC(CC4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC(CC(C)C)S(=O)(=O)NC3=CC=CC=C3)NC4CCC(CC4)N

InChI

InChI=1S/C24H36N8O2S/c1-4-32-15-26-21-22(29-24(30-23(21)32)27-18-12-10-17(25)11-13-18)28-20(14-16(2)3)35(33,34)31-19-8-6-5-7-9-19/h5-9,15-18,20,31H,4,10-14,25H2,1-3H3,(H2,27,28,29,30)