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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl benzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl benzoate CAS Name: benzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl benzoate Traditional Name: benzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4/c1-3-5-11-23-16-15(17(24)21-19(23)26)22(4-2)14(20-16)12-27-18(25)13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3,(H,21,24,26)