1,3-dimethyl-7-[(2S)-3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2S)-3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperazino)propyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C19H31N7O4 MolecularWeight: 421.49394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CN1CCN(CC1)C[C@@H](CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C19H31N7O4/c1-21-4-6-24(7-5-21)12-14(27)13-26-15-16(22(2)19(29)23(3)17(15)28)20-18(26)25-8-10-30-11-9-25/h14,27H,4-13H2,1-3H3/t14-/m0/s1