7-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione

Systemtic Name: 7-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-isopropoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-isopropoxypropylamino)-3-methyl-xanthine Formula: C22H31N5O6 MolecularWeight: 461.51144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1C[C@@H](COC3=CC=C(C=C3)OC)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C22H31N5O6/c1-14(2)32-11-5-10-23-21-24-19-18(20(29)25-22(30)26(19)3)27(21)12-15(28)13-33-17-8-6-16(31-4)7-9-17/h6-9,14-15,28H,5,10-13H2,1-4H3,(H,23,24)(H,25,29,30)/t15-/m0/s1