3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C18H23N5O5/c1-22-15-14(16(26)21-18(22)27)23(17(20-15)19-8-5-9-24)10-12(25)11-28-13-6-3-2-4-7-13/h2-4,6-7,12,24-25H,5,8-11H2,1H3,(H,19,20)(H,21,26,27)/t12-/m1/s1