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

Systemtic Name: [3-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone Openeye Name: [3-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]pyrrolidin-1-yl]-(5-methyl-2-thienyl)methanone CAS Name: [3-[6-(2-amino-5-pyrimidinyl)-2-(4-morpholinyl)-9-purinyl]-1-pyrrolidinyl]-(5-methyl-2-thiophenyl)methanone IUPAC Name: [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone Traditional Name: [3-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]pyrrolidino]-(5-methyl-2-thienyl)methanone Formula: C23H25N9O2S MolecularWeight: 491.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CCC(C2)N3C=NC4=C(N=C(N=C43)N5CCOCC5)C6=CN=C(N=C6)N

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CCC(C2)N3C=NC4=C(N=C(N=C43)N5CCOCC5)C6=CN=C(N=C6)N

InChI

InChI=1S/C23H25N9O2S/c1-14-2-3-17(35-14)21(33)31-5-4-16(12-31)32-13-27-19-18(15-10-25-22(24)26-11-15)28-23(29-20(19)32)30-6-8-34-9-7-30/h2-3,10-11,13,16H,4-9,12H2,1H3,(H2,24,25,26)