1-[4-[2-(2-azanylpyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-yl-purin-8-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-(2-azanylpyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-yl-purin-8-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(2-aminopyrimidin-5-yl)-9-isobutyl-6-morpholino-purin-8-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-(2-amino-5-pyrimidinyl)-9-(2-methylpropyl)-6-(4-morpholinyl)-8-purinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-(2-aminopyrimidin-5-yl)-9-isobutyl-6-morpholino-purin-8-yl]piperazino]ethanone Formula: C23H32N10O2 MolecularWeight: 480.56598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)C3=CN=C(N=C3)N)N4CCOCC4)N=C1N5CCN(CC5)C(=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)C3=CN=C(N=C3)N)N4CCOCC4)N=C1N5CCN(CC5)C(=O)C

InChI

InChI=1S/C23H32N10O2/c1-15(2)14-33-21-18(27-23(33)32-6-4-30(5-7-32)16(3)34)20(31-8-10-35-11-9-31)28-19(29-21)17-12-25-22(24)26-13-17/h12-13,15H,4-11,14H2,1-3H3,(H2,24,25,26)