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

Systemtic Name: 1,3-dimethyl-7-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl]-8-morpholino-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)N2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)N2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H25N5O4/c1-13-5-7-15(8-6-13)17(27)14(2)26-16-18(23(3)21(29)24(4)19(16)28)22-20(26)25-9-11-30-12-10-25/h5-8,14H,9-12H2,1-4H3/t14-/m0/s1