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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-ethoxybenzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid (3-butyl-7-ethyl-2,6-diketo-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)C3=CC=CC=C3OCC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3OCC)CC

InChI

InChI=1S/C21H26N4O5/c1-4-7-12-25-18-17(19(26)23-21(25)28)24(5-2)16(22-18)13-30-20(27)14-10-8-9-11-15(14)29-6-3/h8-11H,4-7,12-13H2,1-3H3,(H,23,26,28)