5-bromanyl-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidine-2,4-dione

Systemtic Name: 5-bromanyl-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidine-2,4-dione Openeye Name: 5-bromo-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidine-2,4-dione CAS Name: 5-bromo-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidine-2,4-dione IUPAC Name: 5-bromo-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidine-2,4-dione Traditional Name: 5-bromo-1-[(3R,5S)-3-methylol-1,4-dioxepan-5-yl]pyrimidine-2,4-quinone Formula: C10H13BrN2O5 MolecularWeight: 321.12462

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(OC1N2C=C(C(=O)NC2=O)Br)CO

Isomeric SMILES

C1COC[C@H](O[C@@H]1N2C=C(C(=O)NC2=O)Br)CO

InChI

InChI=1S/C10H13BrN2O5/c11-7-3-13(10(16)12-9(7)15)8-1-2-17-5-6(4-14)18-8/h3,6,8,14H,1-2,4-5H2,(H,12,15,16)/t6-,8+/m1/s1