N-[[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]pyridin-3-yl]methyl]benzenesulfonamide

Systemtic Name: N-[[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]pyridin-3-yl]methyl]benzenesulfonamide Openeye Name: N-[[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-pyridyl]methyl]benzenesulfonamide CAS Name: N-[[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-3-pyridinyl]methyl]benzenesulfonamide IUPAC Name: N-[[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]pyridin-3-yl]methyl]benzenesulfonamide Traditional Name: N-[[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-pyridyl]methyl]benzenesulfonamide Formula: C25H30N8O3S MolecularWeight: 522.6225

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=C(C=NC=C3)CNS(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=C(C=NC=C3)CNS(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)O

InChI

InChI=1S/C25H30N8O3S/c1-2-33-16-27-22-23(31-25(32-24(22)33)29-18-8-10-19(34)11-9-18)30-21-12-13-26-14-17(21)15-28-37(35,36)20-6-4-3-5-7-20/h3-7,12-14,16,18-19,28,34H,2,8-11,15H2,1H3,(H2,26,29,30,31,32)