N-[3-[[2-[(4-oxidanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]phenyl]-3-phenyl-prop-2-ynamide

Systemtic Name: N-[3-[[2-[(4-oxidanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]phenyl]-3-phenyl-prop-2-ynamide Openeye Name: N-[3-[[2-[(4-hydroxycyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]phenyl]-3-phenyl-prop-2-ynamide CAS Name: N-[3-[[2-[(4-hydroxycyclohexyl)amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-3-phenyl-2-propynamide IUPAC Name: N-[3-[[2-[(4-hydroxycyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-3-phenylprop-2-ynamide Traditional Name: N-[3-[[2-[(4-hydroxycyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]phenyl]-3-phenyl-propiolamide Formula: C29H31N7O2 MolecularWeight: 509.60214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NC(=O)C#CC4=CC=CC=C4)NC5CCC(CC5)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NC(=O)C#CC4=CC=CC=C4)NC5CCC(CC5)O

InChI

InChI=1S/C29H31N7O2/c1-19(2)36-18-30-26-27(34-29(35-28(26)36)33-21-12-14-24(37)15-13-21)32-23-10-6-9-22(17-23)31-25(38)16-11-20-7-4-3-5-8-20/h3-10,17-19,21,24,37H,12-15H2,1-2H3,(H,31,38)(H2,32,33,34,35)