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

Systemtic Name: [3-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]pyrrolidin-1-yl]-phenyl-methanone Openeye Name: [3-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]pyrrolidin-1-yl]-phenyl-methanone CAS Name: [3-[6-(2-amino-5-pyrimidinyl)-2-(4-morpholinyl)-9-purinyl]-1-pyrrolidinyl]-phenylmethanone IUPAC Name: [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone Traditional Name: [3-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]pyrrolidino]-phenyl-methanone Formula: C24H25N9O2 MolecularWeight: 471.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CN=C(N=C5)N)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC1N2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CN=C(N=C5)N)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C24H25N9O2/c25-23-26-12-17(13-27-23)19-20-21(30-24(29-19)31-8-10-35-11-9-31)33(15-28-20)18-6-7-32(14-18)22(34)16-4-2-1-3-5-16/h1-5,12-13,15,18H,6-11,14H2,(H2,25,26,27)