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

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-(1-oxidanylidene-1-phenyl-butan-2-yl)purine-2,6-dione Openeye Name: 7-(1-benzoylpropyl)-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione Traditional Name: 7-(1-benzoylpropyl)-1,3-dimethyl-8-morpholino-xanthine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-4-15(17(27)14-8-6-5-7-9-14)26-16-18(23(2)21(29)24(3)19(16)28)22-20(26)25-10-12-30-13-11-25/h5-9,15H,4,10-13H2,1-3H3