1-[3-[[2-(2-azanylpyrimidin-5-yl)-6-morpholin-4-yl-purin-9-yl]methyl]pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[3-[[2-(2-azanylpyrimidin-5-yl)-6-morpholin-4-yl-purin-9-yl]methyl]pyrrolidin-1-yl]ethanone Openeye Name: 1-[3-[[2-(2-aminopyrimidin-5-yl)-6-morpholino-purin-9-yl]methyl]pyrrolidin-1-yl]ethanone CAS Name: 1-[3-[[2-(2-amino-5-pyrimidinyl)-6-(4-morpholinyl)-9-purinyl]methyl]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[3-[[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]methyl]pyrrolidin-1-yl]ethanone Traditional Name: 1-[3-[[2-(2-aminopyrimidin-5-yl)-6-morpholino-purin-9-yl]methyl]pyrrolidino]ethanone Formula: C20H25N9O2 MolecularWeight: 423.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1)CN2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

Isomeric SMILES

CC(=O)N1CCC(C1)CN2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

InChI

InChI=1S/C20H25N9O2/c1-13(30)28-3-2-14(10-28)11-29-12-24-16-18(27-4-6-31-7-5-27)25-17(26-19(16)29)15-8-22-20(21)23-9-15/h8-9,12,14H,2-7,10-11H2,1H3,(H2,21,22,23)