N-[3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-4-piperidin-1-yl-but-2-ynamide

Systemtic Name: N-[3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-4-piperidin-1-yl-but-2-ynamide Openeye Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-(1-piperidyl)but-2-ynamide CAS Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]phenyl]-4-(1-piperidinyl)-2-butynamide IUPAC Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-piperidin-1-ylbut-2-ynamide Traditional Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-piperidino-but-2-ynamide Formula: C28H36N8O2 MolecularWeight: 516.63784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NC(=O)C#CCN4CCCCC4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NC(=O)C#CCN4CCCCC4)NC5CCC(CC5)O

InChI

InChI=1S/C28H36N8O2/c1-2-36-19-29-25-26(33-28(34-27(25)36)32-20-11-13-23(37)14-12-20)31-22-9-6-8-21(18-22)30-24(38)10-7-17-35-15-4-3-5-16-35/h6,8-9,18-20,23,37H,2-5,11-17H2,1H3,(H,30,38)(H2,31,32,33,34)