3-methyl-8-(2-morpholin-4-ium-4-ylethylamino)-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-morpholin-4-ium-4-ylethylamino)-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(2-morpholin-4-ium-4-ylethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-[2-(4-morpholin-4-iumyl)ethylamino]purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(2-morpholin-4-ium-4-ylethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(2-morpholin-4-ium-4-ylethylamino)xanthine Formula: C21H29N6O5+ MolecularWeight: 445.49216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+]3CCOCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+]3CCOCC3)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C21H28N6O5/c1-25-18-17(19(29)24-21(25)30)27(13-15(28)14-32-16-5-3-2-4-6-16)20(23-18)22-7-8-26-9-11-31-12-10-26/h2-6,15,28H,7-14H2,1H3,(H,22,23)(H,24,29,30)/p+1/t15-/m1/s1