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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CC=CS4)NC5CCC(CC5)NC(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CC=CS4)NC5CCC(CC5)NC(=O)C

InChI

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