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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3,4-dimethoxybenzoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6/c1-5-7-11-26-19-18(20(27)24-22(26)29)25(10-6-2)17(23-19)13-32-21(28)14-8-9-15(30-3)16(12-14)31-4/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,24,27,29)