1-[4,5-bis(hydroxymethyl)-2-oxidanyl-cyclohexyl]-5-[(E)-2-bromanylethenyl]pyrimidine-2,4-dione

Systemtic Name: 1-[4,5-bis(hydroxymethyl)-2-oxidanyl-cyclohexyl]-5-[(E)-2-bromanylethenyl]pyrimidine-2,4-dione Openeye Name: 5-[(E)-2-bromovinyl]-1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]pyrimidine-2,4-dione CAS Name: 5-[(E)-2-bromoethenyl]-1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]pyrimidine-2,4-dione IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]pyrimidine-2,4-dione Traditional Name: 5-[(E)-2-bromovinyl]-1-(2-hydroxy-4,5-dimethylol-cyclohexyl)pyrimidine-2,4-quinone Formula: C14H19BrN2O5 MolecularWeight: 375.21506

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1N2C=C(C(=O)NC2=O)C=CBr)O)CO)CO

Isomeric SMILES

C1C(C(CC(C1N2C=C(C(=O)NC2=O)/C=C/Br)O)CO)CO

InChI

InChI=1S/C14H19BrN2O5/c15-2-1-8-5-17(14(22)16-13(8)21)11-3-9(6-18)10(7-19)4-12(11)20/h1-2,5,9-12,18-20H,3-4,6-7H2,(H,16,21,22)/b2-1+