3,7-dihydropurine-6-thione; 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

Systemtic Name: 3,7-dihydropurine-6-thione; 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: 1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol; 3,7-dihydropurine-6-thione CAS Name: 3,7-dihydropurine-6-thione; 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: 3,7-dihydropurine-6-thione; 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol; 3,7-dihydropurine-6-thione Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC=C1CC=C)O.C1=NC2=C(N1)C(=S)N=CN2

Isomeric SMILES

CC(C)NCC(COC1=CC=CC=C1CC=C)O.C1=NC2=C(N1)C(=S)N=CN2

InChI

InChI=1S/C15H23NO2.C5H4N4S/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;10-5-3-4(7-1-6-3)8-2-9-5/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1-2H,(H2,6,7,8,9,10)