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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3,4,5-trimethoxybenzoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C23H30N4O7 MolecularWeight: 474.5069

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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)OC)CCC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O7/c1-6-8-10-27-20-18(21(28)25-23(27)30)26(9-7-2)17(24-20)13-34-22(29)14-11-15(31-3)19(33-5)16(12-14)32-4/h11-12H,6-10,13H2,1-5H3,(H,25,28,30)