1-(4-iodophenyl)-2,6-bis(oxidanylidene)-3-propyl-purine-7-carboxylic acid

Systemtic Name: 1-(4-iodophenyl)-2,6-bis(oxidanylidene)-3-propyl-purine-7-carboxylic acid Openeye Name: 1-(4-iodophenyl)-2,6-dioxo-3-propyl-purine-7-carboxylic acid CAS Name: 1-(4-iodophenyl)-2,6-dioxo-3-propyl-7-purinecarboxylic acid IUPAC Name: 1-(4-iodophenyl)-2,6-dioxo-3-propylpurine-7-carboxylic acid Traditional Name: 1-(4-iodophenyl)-2,6-diketo-3-propyl-purine-7-carboxylic acid Formula: C15H13IN4O4 MolecularWeight: 440.19259

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C3=CC=C(C=C3)I)N(C=N2)C(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C3=CC=C(C=C3)I)N(C=N2)C(=O)O

InChI

InChI=1S/C15H13IN4O4/c1-2-7-18-12-11(19(8-17-12)15(23)24)13(21)20(14(18)22)10-5-3-9(16)4-6-10/h3-6,8H,2,7H2,1H3,(H,23,24)