[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-methoxy-4-prop-2-enoxy-benzoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H28N4O6 MolecularWeight: 456.49162

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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)OCC=C)OC)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O6/c1-5-8-11-27-20-19(21(28)25-23(27)30)26(7-3)18(24-20)14-33-22(29)15-9-10-16(32-12-6-2)17(13-15)31-4/h6,9-10,13H,2,5,7-8,11-12,14H2,1,3-4H3,(H,25,28,30)