1,3-dimethyl-7-[2-oxidanyl-3-(piperidin-1-ylmethylideneamino)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-(piperidin-1-ylmethylideneamino)propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(1-piperidylmethyleneamino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(1-piperidinylmethylideneamino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(piperidin-1-ylmethylideneamino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(piperidinomethyleneamino)propyl]-1,3-dimethyl-xanthine Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN=CN3CCCCC3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN=CN3CCCCC3)O

InChI

InChI=1S/C16H24N6O3/c1-19-14-13(15(24)20(2)16(19)25)22(11-18-14)9-12(23)8-17-10-21-6-4-3-5-7-21/h10-12,23H,3-9H2,1-2H3