1-[3-(hydroxymethyl)-4-oxidanyl-2-oxidanylidene-cyclopentyl]-5-[(E)-2-iodanylethenyl]pyrimidine-2,4-dione

Systemtic Name: 1-[3-(hydroxymethyl)-4-oxidanyl-2-oxidanylidene-cyclopentyl]-5-[(E)-2-iodanylethenyl]pyrimidine-2,4-dione Openeye Name: 1-[4-hydroxy-3-(hydroxymethyl)-2-oxo-cyclopentyl]-5-[(E)-2-iodovinyl]pyrimidine-2,4-dione CAS Name: 1-[4-hydroxy-3-(hydroxymethyl)-2-oxocyclopentyl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione IUPAC Name: 1-[4-hydroxy-3-(hydroxymethyl)-2-oxocyclopentyl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione Traditional Name: 1-(4-hydroxy-2-keto-3-methylol-cyclopentyl)-5-[(E)-2-iodovinyl]pyrimidine-2,4-quinone Formula: C12H13IN2O5 MolecularWeight: 392.14649

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C1N2C=C(C(=O)NC2=O)C=CI)CO)O

Isomeric SMILES

C1C(C(C(=O)C1N2C=C(C(=O)NC2=O)/C=C/I)CO)O

InChI

InChI=1S/C12H13IN2O5/c13-2-1-6-4-15(12(20)14-11(6)19)8-3-9(17)7(5-16)10(8)18/h1-2,4,7-9,16-17H,3,5H2,(H,14,19,20)/b2-1+