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

Systemtic Name: N-[4-[[9-propan-2-yl-6-[(4-thiophen-2-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[[4-(2-thienyl)phenyl]methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[9-propan-2-yl-6-[(4-thiophen-2-ylphenyl)methylamino]-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[9-propan-2-yl-6-[(4-thiophen-2-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[[4-(2-thienyl)benzyl]amino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C27H33N7OS MolecularWeight: 503.66222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N7OS/c1-17(2)34-16-29-24-25(28-15-19-6-8-20(9-7-19)23-5-4-14-36-23)32-27(33-26(24)34)31-22-12-10-21(11-13-22)30-18(3)35/h4-9,14,16-17,21-22H,10-13,15H2,1-3H3,(H,30,35)(H2,28,31,32,33)