tert-butyl N-[4-[[9-propan-2-yl-6-[(3-thiophen-3-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[[9-propan-2-yl-6-[(3-thiophen-3-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[[9-isopropyl-6-[[3-(3-thienyl)phenyl]methylamino]purin-2-yl]amino]cyclohexyl]carbamate CAS Name: N-[4-[[9-propan-2-yl-6-[[3-(3-thiophenyl)phenyl]methylamino]-2-purinyl]amino]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[9-propan-2-yl-6-[(3-thiophen-3-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]carbamate Traditional Name: N-[4-[[9-isopropyl-6-[[3-(3-thienyl)benzyl]amino]purin-2-yl]amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C30H39N7O2S MolecularWeight: 561.74136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39N7O2S/c1-19(2)37-18-32-25-26(31-16-20-7-6-8-21(15-20)22-13-14-40-17-22)35-28(36-27(25)37)33-23-9-11-24(12-10-23)34-29(38)39-30(3,4)5/h6-8,13-15,17-19,23-24H,9-12,16H2,1-5H3,(H,34,38)(H2,31,33,35,36)