4-[5-[[6-(ethylamino)-8-propan-2-yl-purin-3-yl]methyl]-2-methoxy-phenoxy]butan-1-ol

Systemtic Name: 4-[5-[[6-(ethylamino)-8-propan-2-yl-purin-3-yl]methyl]-2-methoxy-phenoxy]butan-1-ol Openeye Name: 4-[5-[[6-(ethylamino)-8-isopropyl-purin-3-yl]methyl]-2-methoxy-phenoxy]butan-1-ol CAS Name: 4-[5-[[6-(ethylamino)-8-propan-2-yl-3-purinyl]methyl]-2-methoxyphenoxy]-1-butanol IUPAC Name: 4-[5-[[6-(ethylamino)-8-propan-2-ylpurin-3-yl]methyl]-2-methoxyphenoxy]butan-1-ol Traditional Name: 4-[5-[[6-(ethylamino)-8-isopropyl-purin-3-yl]methyl]-2-methoxy-phenoxy]butan-1-ol Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OCCCCO

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OCCCCO

InChI

InChI=1S/C22H31N5O3/c1-5-23-21-19-22(26-20(25-19)15(2)3)27(14-24-21)13-16-8-9-17(29-4)18(12-16)30-11-7-6-10-28/h8-9,12,14-15,23,28H,5-7,10-11,13H2,1-4H3