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

Systemtic Name: 4-[2-(2-azanylpyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-yl-purin-8-yl]piperazine-1-carbaldehyde Openeye Name: 4-[2-(2-aminopyrimidin-5-yl)-9-isobutyl-6-morpholino-purin-8-yl]piperazine-1-carbaldehyde CAS Name: 4-[2-(2-amino-5-pyrimidinyl)-9-(2-methylpropyl)-6-(4-morpholinyl)-8-purinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]piperazine-1-carbaldehyde Traditional Name: 4-[2-(2-aminopyrimidin-5-yl)-9-isobutyl-6-morpholino-purin-8-yl]piperazine-1-carbaldehyde Formula: C22H30N10O2 MolecularWeight: 466.5394

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N10O2/c1-15(2)13-32-20-17(26-22(32)31-5-3-29(14-33)4-6-31)19(30-7-9-34-10-8-30)27-18(28-20)16-11-24-21(23)25-12-16/h11-12,14-15H,3-10,13H2,1-2H3,(H2,23,24,25)