[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(N(N=C3)C4=CC=CC=N4)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(N(N=C3)C4=CC=CC=N4)C)CC

InChI

InChI=1S/C22H25N7O4/c1-4-6-11-28-19-18(20(30)26-22(28)32)27(5-2)17(25-19)13-33-21(31)15-12-24-29(14(15)3)16-9-7-8-10-23-16/h7-10,12H,4-6,11,13H2,1-3H3,(H,26,30,32)