4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(naphthalen-1-ylmethyl)benzenesulfonamide

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(naphthalen-1-ylmethyl)benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(1-naphthylmethyl)benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-(1-naphthalenylmethyl)benzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(naphthalen-1-ylmethyl)benzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(1-naphthylmethyl)benzenesulfonamide Formula: C30H33N7O3S MolecularWeight: 571.69312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC5=CC=CC=C54)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC5=CC=CC=C54)NC6CCC(CC6)O

InChI

InChI=1S/C30H33N7O3S/c1-2-37-19-31-27-28(35-30(36-29(27)37)34-23-10-14-24(38)15-11-23)33-22-12-16-25(17-13-22)41(39,40)32-18-21-8-5-7-20-6-3-4-9-26(20)21/h3-9,12-13,16-17,19,23-24,32,38H,2,10-11,14-15,18H2,1H3,(H2,33,34,35,36)