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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-iodanylbenzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-iodobenzoate CAS Name: 2-iodobenzoic 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-iodobenzoate Traditional Name: 2-iodobenzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C19H21IN4O4 MolecularWeight: 496.29891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3I)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3I)CC

InChI

InChI=1S/C19H21IN4O4/c1-3-5-10-24-16-15(17(25)22-19(24)27)23(4-2)14(21-16)11-28-18(26)12-8-6-7-9-13(12)20/h6-9H,3-5,10-11H2,1-2H3,(H,22,25,27)