[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 1-methyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 1-methyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 1-methyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-methyl-6-oxo-3-pyridazinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 1-methyl-6-oxopyridazine-3-carboxylate Traditional Name: 6-keto-1-methyl-pyridazine-3-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C19H24N6O5 MolecularWeight: 416.43106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NN(C(=O)C=C3)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NN(C(=O)C=C3)C)CCC

InChI

InChI=1S/C19H24N6O5/c1-4-6-10-25-16-15(17(27)21-19(25)29)24(9-5-2)13(20-16)11-30-18(28)12-7-8-14(26)23(3)22-12/h7-8H,4-6,9-11H2,1-3H3,(H,21,27,29)