1,3-dimethyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C21H27N5O5/c1-14-6-4-5-7-16(14)31-13-15(27)12-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)25-8-10-30-11-9-25/h4-7,15,27H,8-13H2,1-3H3