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

Systemtic Name: 8-[4-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)butyl]-3-methyl-1-propyl-7H-purine-2,6-dione Openeye Name: 8-[4-(3-chloro-6-oxo-pyridazin-1-yl)butyl]-3-methyl-1-propyl-7H-purine-2,6-dione CAS Name: 8-[4-(3-chloro-6-oxo-1-pyridazinyl)butyl]-3-methyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(3-chloro-6-oxopyridazin-1-yl)butyl]-3-methyl-1-propyl-7H-purine-2,6-dione Traditional Name: 8-[4-(3-chloro-6-keto-pyridazin-1-yl)butyl]-3-methyl-1-propyl-7H-purine-2,6-quinone Formula: C17H21ClN6O3 MolecularWeight: 392.84004

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CCCCN3C(=O)C=CC(=N3)Cl)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CCCCN3C(=O)C=CC(=N3)Cl)N(C1=O)C

InChI

InChI=1S/C17H21ClN6O3/c1-3-9-23-16(26)14-15(22(2)17(23)27)20-12(19-14)6-4-5-10-24-13(25)8-7-11(18)21-24/h7-8H,3-6,9-10H2,1-2H3,(H,19,20)