tert-butyl 4-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]piperidine-1-carboxylate CAS Name: 4-[6-(2-amino-5-pyrimidinyl)-2-(4-morpholinyl)-9-purinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N9O3 MolecularWeight: 481.55074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CN=C(N=C5)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CN=C(N=C5)N

InChI

InChI=1S/C23H31N9O3/c1-23(2,3)35-22(33)31-6-4-16(5-7-31)32-14-27-18-17(15-12-25-20(24)26-13-15)28-21(29-19(18)32)30-8-10-34-11-9-30/h12-14,16H,4-11H2,1-3H3,(H2,24,25,26)