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

Systemtic Name: 8-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]-3-butyl-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(4,5-dichloro-6-oxo-pyridazin-1-yl)methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[(4,5-dichloro-6-oxo-1-pyridazinyl)methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[(4,5-dichloro-6-keto-pyridazin-1-yl)methyl]-7-propyl-xanthine Formula: C17H20Cl2N6O3 MolecularWeight: 427.2851

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C17H20Cl2N6O3/c1-3-5-7-24-14-13(15(26)22-17(24)28)23(6-4-2)11(21-14)9-25-16(27)12(19)10(18)8-20-25/h8H,3-7,9H2,1-2H3,(H,22,26,28)