[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(2-oxo-1,3-benzoxazol-3-yl)butanoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)butyric acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H29N5O6 MolecularWeight: 483.51696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCN3C4=CC=CC=C4OC3=O)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCN3C4=CC=CC=C4OC3=O)CCC

InChI

InChI=1S/C24H29N5O6/c1-3-5-13-29-21-20(22(31)26-23(29)32)28(12-4-2)18(25-21)15-34-19(30)11-8-14-27-16-9-6-7-10-17(16)35-24(27)33/h6-7,9-10H,3-5,8,11-15H2,1-2H3,(H,26,31,32)