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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-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 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C19H25N5O5 MolecularWeight: 403.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(ON=C3C)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(ON=C3C)C)CCC

InChI

InChI=1S/C19H25N5O5/c1-5-7-9-24-16-15(17(25)21-19(24)27)23(8-6-2)13(20-16)10-28-18(26)14-11(3)22-29-12(14)4/h5-10H2,1-4H3,(H,21,25,27)