1,3-dimethyl-7-[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1R)-2-morpholino-2-oxo-1-phenyl-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]purine-2,6-dione Traditional Name: 7-[(1R)-2-keto-2-morpholino-1-phenyl-ethyl]-1,3-dimethyl-xanthine Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[C@H](C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C19H21N5O4/c1-21-16-15(17(25)22(2)19(21)27)24(12-20-16)14(13-6-4-3-5-7-13)18(26)23-8-10-28-11-9-23/h3-7,12,14H,8-11H2,1-2H3/t14-/m1/s1