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

Systemtic Name: N-ethyl-4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-ethyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide CAS Name: N-ethyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-ethyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Traditional Name: N-benzyl-N-ethyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Formula: C28H35N7O3S MolecularWeight: 549.6876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC4=CC=CC=C4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC4=CC=CC=C4)NC5CCC(CC5)O

InChI

InChI=1S/C28H35N7O3S/c1-3-34-19-29-25-26(32-28(33-27(25)34)31-22-10-14-23(36)15-11-22)30-21-12-16-24(17-13-21)39(37,38)35(4-2)18-20-8-6-5-7-9-20/h5-9,12-13,16-17,19,22-23,36H,3-4,10-11,14-15,18H2,1-2H3,(H2,30,31,32,33)