ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-yl-purin-9-yl]propanoate

Systemtic Name: ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-yl-purin-9-yl]propanoate Openeye Name: ethyl 3-[6-(1H-indol-6-yl)-2-morpholino-purin-9-yl]propanoate CAS Name: 3-[6-(1H-indol-6-yl)-2-(4-morpholinyl)-9-purinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate Traditional Name: 3-[6-(1H-indol-6-yl)-2-morpholino-purin-9-yl]propionic acid ethyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C=NC2=C(N=C(N=C21)N3CCOCC3)C4=CC5=C(C=C4)C=CN5

Isomeric SMILES

CCOC(=O)CCN1C=NC2=C(N=C(N=C21)N3CCOCC3)C4=CC5=C(C=C4)C=CN5

InChI

InChI=1S/C22H24N6O3/c1-2-31-18(29)6-8-28-14-24-20-19(16-4-3-15-5-7-23-17(15)13-16)25-22(26-21(20)28)27-9-11-30-12-10-27/h3-5,7,13-14,23H,2,6,8-12H2,1H3