1,3-dimethyl-8-(2-morpholin-4-ylethylamino)-7-(3-phenoxypropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-morpholin-4-ylethylamino)-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-morpholinoethylamino)-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[2-(4-morpholinyl)ethylamino]-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-morpholin-4-ylethylamino)-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2-morpholinoethylamino)-7-(3-phenoxypropyl)xanthine Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN3CCOCC3)CCCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN3CCOCC3)CCCOC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O4/c1-25-19-18(20(29)26(2)22(25)30)28(10-6-14-32-17-7-4-3-5-8-17)21(24-19)23-9-11-27-12-15-31-16-13-27/h3-5,7-8H,6,9-16H2,1-2H3,(H,23,24)