1-[3,4-bis(hydroxymethyl)cyclohexyl]-5-[(E)-2-bromanylethenyl]pyrimidine-2,4-dione

Systemtic Name: 1-[3,4-bis(hydroxymethyl)cyclohexyl]-5-[(E)-2-bromanylethenyl]pyrimidine-2,4-dione Openeye Name: 1-[3,4-bis(hydroxymethyl)cyclohexyl]-5-[(E)-2-bromovinyl]pyrimidine-2,4-dione CAS Name: 1-[3,4-bis(hydroxymethyl)cyclohexyl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione IUPAC Name: 1-[3,4-bis(hydroxymethyl)cyclohexyl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione Traditional Name: 5-[(E)-2-bromovinyl]-1-(3,4-dimethylolcyclohexyl)pyrimidine-2,4-quinone Formula: C14H19BrN2O4 MolecularWeight: 359.21566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1N2C=C(C(=O)NC2=O)C=CBr)CO)CO

Isomeric SMILES

C1CC(C(CC1N2C=C(C(=O)NC2=O)/C=C/Br)CO)CO

InChI

InChI=1S/C14H19BrN2O4/c15-4-3-9-6-17(14(21)16-13(9)20)12-2-1-10(7-18)11(5-12)8-19/h3-4,6,10-12,18-19H,1-2,5,7-8H2,(H,16,20,21)/b4-3+