1-(2-hydroxyethyloxymethyl)-5-iodanyl-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-5-iodanyl-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 1-(2-hydroxyethoxymethyl)-5-iodo-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 1-(2-hydroxyethoxymethyl)-5-iodo-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 1-(2-hydroxyethoxymethyl)-5-iodo-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 1-(2-hydroxyethoxymethyl)-5-iodo-6-(phenylthio)pyrimidine-2,4-quinone Formula: C13H13IN2O4S MolecularWeight: 420.22279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C(=O)NC(=O)N2COCCO)I

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C(=O)NC(=O)N2COCCO)I

InChI

InChI=1S/C13H13IN2O4S/c14-10-11(18)15-13(19)16(8-20-7-6-17)12(10)21-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,15,18,19)