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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-(pyridin-3-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(3-pyridylmethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(3-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(3-pyridylmethylamino)xanthine Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C21H22N6O4/c1-26-18-17(19(29)25-21(26)30)27(12-15(28)13-31-16-7-3-2-4-8-16)20(24-18)23-11-14-6-5-9-22-10-14/h2-10,15,28H,11-13H2,1H3,(H,23,24)(H,25,29,30)/t15-/m1/s1