1,3-dimethyl-8-morpholin-4-yl-7-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]-8-morpholino-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-[(2R)-1-oxo-1-phenylpropan-2-yl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-[(2R)-1-oxo-1-phenylpropan-2-yl]purine-2,6-dione Traditional Name: 7-[(1R)-2-keto-1-methyl-2-phenyl-ethyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

C[C@H](C(=O)C1=CC=CC=C1)N2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H23N5O4/c1-13(16(26)14-7-5-4-6-8-14)25-15-17(22(2)20(28)23(3)18(15)27)21-19(25)24-9-11-29-12-10-24/h4-8,13H,9-12H2,1-3H3/t13-/m1/s1