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

Systemtic Name: 1-[4-[2-(2-azanylpyrimidin-5-yl)-9-(cyclopropylmethyl)-6-morpholin-4-yl-purin-8-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(2-aminopyrimidin-5-yl)-9-(cyclopropylmethyl)-6-morpholino-purin-8-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-(2-amino-5-pyrimidinyl)-9-(cyclopropylmethyl)-6-(4-morpholinyl)-8-purinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(2-aminopyrimidin-5-yl)-9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-(2-aminopyrimidin-5-yl)-9-(cyclopropylmethyl)-6-morpholino-purin-8-yl]piperazino]ethanone Formula: C23H30N10O2 MolecularWeight: 478.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC3=C(N2CC4CC4)N=C(N=C3N5CCOCC5)C6=CN=C(N=C6)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC3=C(N2CC4CC4)N=C(N=C3N5CCOCC5)C6=CN=C(N=C6)N

InChI

InChI=1S/C23H30N10O2/c1-15(34)30-4-6-32(7-5-30)23-27-18-20(31-8-10-35-11-9-31)28-19(17-12-25-22(24)26-13-17)29-21(18)33(23)14-16-2-3-16/h12-13,16H,2-11,14H2,1H3,(H2,24,25,26)