N-[4-[[9-propan-2-yl-6-[(6-thiophen-3-ylpyridin-3-yl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide

Systemtic Name: N-[4-[[9-propan-2-yl-6-[(6-thiophen-3-ylpyridin-3-yl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[[6-(3-thienyl)-3-pyridyl]methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[9-propan-2-yl-6-[[6-(3-thiophenyl)-3-pyridinyl]methylamino]-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[9-propan-2-yl-6-[(6-thiophen-3-ylpyridin-3-yl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[[6-(3-thienyl)-3-pyridyl]methylamino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C26H32N8OS MolecularWeight: 504.65028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CSC=C4)NC5CCC(CC5)NC(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CSC=C4)NC5CCC(CC5)NC(=O)C

InChI

InChI=1S/C26H32N8OS/c1-16(2)34-15-29-23-24(28-13-18-4-9-22(27-12-18)19-10-11-36-14-19)32-26(33-25(23)34)31-21-7-5-20(6-8-21)30-17(3)35/h4,9-12,14-16,20-21H,5-8,13H2,1-3H3,(H,30,35)(H2,28,31,32,33)