N-[4-[[6-[(5-phenylthiophen-3-yl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]ethanamide

Systemtic Name: N-[4-[[6-[(5-phenylthiophen-3-yl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[(5-phenyl-3-thienyl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[6-[(5-phenyl-3-thiophenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[6-[(5-phenylthiophen-3-yl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[(5-phenyl-3-thienyl)methylamino]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=CSC(=C3)C4=CC=CC=C4)NC5CCC(CC5)NC(=O)C

Isomeric SMILES

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

InChI

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