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

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-morpholino-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-morpholino-7-(3-phenoxypropyl)xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCOC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O4/c1-22-17-16(18(26)23(2)20(22)27)25(19(21-17)24-10-13-28-14-11-24)9-6-12-29-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3