N-[3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-4,4-dimethyl-pent-2-ynamide

Systemtic Name: N-[3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-4,4-dimethyl-pent-2-ynamide Openeye Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4,4-dimethyl-pent-2-ynamide CAS Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]phenyl]-4,4-dimethyl-2-pentynamide IUPAC Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4,4-dimethylpent-2-ynamide Traditional Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4,4-dimethyl-pent-2-ynamide Formula: C26H33N7O2 MolecularWeight: 475.58592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N7O2/c1-5-33-16-27-22-23(31-25(32-24(22)33)30-17-9-11-20(34)12-10-17)29-19-8-6-7-18(15-19)28-21(35)13-14-26(2,3)4/h6-8,15-17,20,34H,5,9-12H2,1-4H3,(H,28,35)(H2,29,30,31,32)