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

Systemtic Name: methyl 4-[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]benzoate Openeye Name: methyl 4-(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)benzoate CAS Name: 4-(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)benzoate Traditional Name: 4-(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)benzoic acid 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)C3=CC=C(C=C3)C(=O)OC)CC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4/c1-4-6-11-23-16-14(17(24)21-19(23)26)22(5-2)15(20-16)12-7-9-13(10-8-12)18(25)27-3/h7-10H,4-6,11H2,1-3H3,(H,21,24,26)