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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C)O

InChI

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