7-[2-[(4-chloranyl-6-oxidanylidene-1H-pyridazin-5-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[(4-chloranyl-6-oxidanylidene-1H-pyridazin-5-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[(4-chloro-6-oxo-1H-pyridazin-5-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(4-chloro-6-oxo-1H-pyridazin-5-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[(4-chloro-6-oxo-1H-pyridazin-5-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[(4-chloro-6-keto-1H-pyridazin-5-yl)amino]ethyl]-1,3-dimethyl-xanthine Formula: C13H14ClN7O3 MolecularWeight: 351.74836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=C(C=NNC3=O)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=C(C=NNC3=O)Cl

InChI

InChI=1S/C13H14ClN7O3/c1-19-10-9(12(23)20(2)13(19)24)21(6-16-10)4-3-15-8-7(14)5-17-18-11(8)22/h5-6H,3-4H2,1-2H3,(H,15,17)(H,18,22)