[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-phenoxyethanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-phenoxyethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic 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-phenoxyacetate Traditional Name: 2-phenoxyacetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5/c1-3-5-12-25-19-18(20(27)23-21(25)28)24(11-4-2)16(22-19)13-30-17(26)14-29-15-9-7-6-8-10-15/h6-10H,3-5,11-14H2,1-2H3,(H,23,27,28)