2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

Systemtic Name: 2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide Openeye Name: 6-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-tetralin-5-sulfonamide CAS Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide IUPAC Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide Traditional Name: 6-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-tetralin-5-sulfonamide Formula: C29H35N7O3S MolecularWeight: 561.6983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=C(C4=C(CCCC4)C=C3)S(=O)(=O)NC5=CC=CC=C5)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=C(C4=C(CCCC4)C=C3)S(=O)(=O)NC5=CC=CC=C5)NC6CCC(CC6)O

InChI

InChI=1S/C29H35N7O3S/c1-2-36-18-30-25-27(33-29(34-28(25)36)31-20-13-15-22(37)16-14-20)32-24-17-12-19-8-6-7-11-23(19)26(24)40(38,39)35-21-9-4-3-5-10-21/h3-5,9-10,12,17-18,20,22,35,37H,2,6-8,11,13-16H2,1H3,(H2,31,32,33,34)