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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(phenethylamino)xanthine Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C23H25N5O4/c1-27-20-19(21(30)26-23(27)31)28(14-17(29)15-32-18-10-6-3-7-11-18)22(25-20)24-13-12-16-8-4-2-5-9-16/h2-11,17,29H,12-15H2,1H3,(H,24,25)(H,26,30,31)/t17-/m1/s1