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

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Traditional Name: N-benzyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Formula: C26H31N7O3S MolecularWeight: 521.63444

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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=CC=C4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4)NC5CCC(CC5)O

InChI

InChI=1S/C26H31N7O3S/c1-2-33-17-27-23-24(31-26(32-25(23)33)30-20-8-12-21(34)13-9-20)29-19-10-14-22(15-11-19)37(35,36)28-16-18-6-4-3-5-7-18/h3-7,10-11,14-15,17,20-21,28,34H,2,8-9,12-13,16H2,1H3,(H2,29,30,31,32)