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

Systemtic Name: 7-[2-[(5-chloranyl-2-methyl-3-oxidanylidene-pyridazin-4-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[(5-chloro-2-methyl-3-oxo-pyridazin-4-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(5-chloro-2-methyl-3-oxo-4-pyridazinyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[(5-chloro-2-methyl-3-oxopyridazin-4-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[(5-chloro-3-keto-2-methyl-pyridazin-4-yl)amino]ethyl]-1,3-dimethyl-xanthine Formula: C14H16ClN7O3 MolecularWeight: 365.77494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=C(C=NN(C3=O)C)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=C(C=NN(C3=O)C)Cl

InChI

InChI=1S/C14H16ClN7O3/c1-19-11-10(13(24)20(2)14(19)25)22(7-17-11)5-4-16-9-8(15)6-18-21(3)12(9)23/h6-7,16H,4-5H2,1-3H3