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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=NN3)C4=CC=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=NN3)C4=CC=CC=C4)CC

InChI

InChI=1S/C22H24N6O4/c1-3-5-11-28-19-18(20(29)24-22(28)31)27(4-2)17(23-19)13-32-21(30)16-12-15(25-26-16)14-9-7-6-8-10-14/h6-10,12H,3-5,11,13H2,1-2H3,(H,25,26)(H,24,29,31)