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

Systemtic Name: 3-methyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(2-morpholinoethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-[2-(4-morpholinyl)ethylamino]purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(2-morpholinoethylamino)xanthine Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCN4CCOCC4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2NCCN4CCOCC4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C22H30N6O5/c1-15-4-3-5-17(12-15)33-14-16(29)13-28-18-19(26(2)22(31)25-20(18)30)24-21(28)23-6-7-27-8-10-32-11-9-27/h3-5,12,16,29H,6-11,13-14H2,1-2H3,(H,23,24)(H,25,30,31)/t16-/m1/s1