3-[9-butan-2-yl-8-(2-methoxyethylamino)-2-morpholin-4-yl-purin-6-yl]phenol

Systemtic Name: 3-[9-butan-2-yl-8-(2-methoxyethylamino)-2-morpholin-4-yl-purin-6-yl]phenol Openeye Name: 3-[8-(2-methoxyethylamino)-2-morpholino-9-sec-butyl-purin-6-yl]phenol CAS Name: 3-[9-butan-2-yl-8-(2-methoxyethylamino)-2-(4-morpholinyl)-6-purinyl]phenol IUPAC Name: 3-[9-butan-2-yl-8-(2-methoxyethylamino)-2-morpholin-4-ylpurin-6-yl]phenol Traditional Name: 3-[8-(2-methoxyethylamino)-2-morpholino-9-sec-butyl-purin-6-yl]phenol Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=NC(=NC(=C2N=C1NCCOC)C3=CC(=CC=C3)O)N4CCOCC4

Isomeric SMILES

CCC(C)N1C2=NC(=NC(=C2N=C1NCCOC)C3=CC(=CC=C3)O)N4CCOCC4

InChI

InChI=1S/C22H30N6O3/c1-4-15(2)28-20-19(25-21(28)23-8-11-30-3)18(16-6-5-7-17(29)14-16)24-22(26-20)27-9-12-31-13-10-27/h5-7,14-15,29H,4,8-13H2,1-3H3,(H,23,25)