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

Systemtic Name: (2S)-4-[2-(2-azanylpyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-yl-purin-8-yl]-2-methyl-piperazine-1-carbaldehyde Openeye Name: (2S)-4-[2-(2-aminopyrimidin-5-yl)-9-isobutyl-6-morpholino-purin-8-yl]-2-methyl-piperazine-1-carbaldehyde CAS Name: (2S)-4-[2-(2-amino-5-pyrimidinyl)-9-(2-methylpropyl)-6-(4-morpholinyl)-8-purinyl]-2-methyl-1-piperazinecarboxaldehyde IUPAC Name: (2S)-4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazine-1-carbaldehyde Traditional Name: (2S)-4-[2-(2-aminopyrimidin-5-yl)-9-isobutyl-6-morpholino-purin-8-yl]-2-methyl-piperazine-1-carbaldehyde Formula: C23H32N10O2 MolecularWeight: 480.56598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C=O)C2=NC3=C(N2CC(C)C)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

Isomeric SMILES

C[C@H]1CN(CCN1C=O)C2=NC3=C(N2CC(C)C)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

InChI

InChI=1S/C23H32N10O2/c1-15(2)12-33-21-18(27-23(33)31-4-5-32(14-34)16(3)13-31)20(30-6-8-35-9-7-30)28-19(29-21)17-10-25-22(24)26-11-17/h10-11,14-16H,4-9,12-13H2,1-3H3,(H2,24,25,26)/t16-/m0/s1