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

Systemtic Name: 8-[2-[4-(5-chloranyl-2-methyl-3-oxidanylidene-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-[4-(5-chloro-2-methyl-3-oxo-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[2-[4-(5-chloro-2-methyl-3-oxo-4-pyridazinyl)-1-piperazinyl]ethyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-[4-(5-chloro-2-methyl-3-oxopyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[2-[4-(5-chloro-3-keto-2-methyl-pyridazin-4-yl)piperazino]ethyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H23ClN8O3 MolecularWeight: 434.88002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCN3CCN(CC3)C4=C(C=NN(C4=O)C)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCN3CCN(CC3)C4=C(C=NN(C4=O)C)Cl

InChI

InChI=1S/C18H23ClN8O3/c1-23-15-13(16(28)24(2)18(23)30)21-12(22-15)4-5-26-6-8-27(9-7-26)14-11(19)10-20-25(3)17(14)29/h10H,4-9H2,1-3H3,(H,21,22)