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

Systemtic Name: 7-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C22H29N5O5/c1-4-15-6-5-7-17(12-15)32-14-16(28)13-27-18-19(24(2)22(30)25(3)20(18)29)23-21(27)26-8-10-31-11-9-26/h5-7,12,16,28H,4,8-11,13-14H2,1-3H3/t16-/m0/s1