[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(ON=C3C4=CC=CC=C4)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(ON=C3C4=CC=CC=C4)C)CCC

InChI

InChI=1S/C24H27N5O5/c1-4-6-13-29-21-20(22(30)26-24(29)32)28(12-5-2)17(25-21)14-33-23(31)18-15(3)34-27-19(18)16-10-8-7-9-11-16/h7-11H,4-6,12-14H2,1-3H3,(H,26,30,32)