tert-butyl N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)cyclobutyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)cyclobutyl]carbamate Openeye Name: tert-butyl N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclobutyl]carbamate CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclobutyl]carbamate Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclobutyl]carbamic acid tert-butyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(C1)(C#CC2=CN=C(N=C2)N)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC(C1)(C#CC2=CN=C(N=C2)N)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C27H34N4O4/c1-26(2,3)35-25(32)31-20-14-27(15-20,12-11-18-16-29-24(28)30-17-18)19-9-10-22(33-4)23(13-19)34-21-7-5-6-8-21/h9-10,13,16-17,20-21H,5-8,14-15H2,1-4H3,(H,31,32)(H2,28,29,30)