N-[3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]methanesulfonamide Formula: C20H27N7O3S MolecularWeight: 445.53848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NS(=O)(=O)C)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NS(=O)(=O)C)NC4CCC(CC4)O

InChI

InChI=1S/C20H27N7O3S/c1-3-27-12-21-17-18(22-14-5-4-6-15(11-14)26-31(2,29)30)24-20(25-19(17)27)23-13-7-9-16(28)10-8-13/h4-6,11-13,16,26,28H,3,7-10H2,1-2H3,(H2,22,23,24,25)