8-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]-3-butyl-7-ethyl-purine-2,6-dione

Systemtic Name: 8-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(4,5-dichloro-6-oxo-pyridazin-1-yl)methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[(4,5-dichloro-6-oxo-1-pyridazinyl)methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[(4,5-dichloro-6-keto-pyridazin-1-yl)methyl]-7-ethyl-xanthine Formula: C16H18Cl2N6O3 MolecularWeight: 413.25852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C(=O)C(=C(C=N3)Cl)Cl)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C(=O)C(=C(C=N3)Cl)Cl)CC

InChI

InChI=1S/C16H18Cl2N6O3/c1-3-5-6-23-13-12(14(25)21-16(23)27)22(4-2)10(20-13)8-24-15(26)11(18)9(17)7-19-24/h7H,3-6,8H2,1-2H3,(H,21,25,27)