[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-indan-5-yloxyacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate Traditional Name: 2-indan-5-yloxyacetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC4=C(CCC4)C=C3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC4=C(CCC4)C=C3)CCC

InChI

InChI=1S/C24H30N4O5/c1-3-5-12-28-22-21(23(30)26-24(28)31)27(11-4-2)19(25-22)14-33-20(29)15-32-18-10-9-16-7-6-8-17(16)13-18/h9-10,13H,3-8,11-12,14-15H2,1-2H3,(H,26,30,31)