Molecule ID: 6035

IUPAC Name: 5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Description: The molecule is a pyrimidine 2'-deoxyribonucleoside compound having 5-bromouracil as the nucleobase. It has a role as an antineoplastic agent and an antimetabolite.

SMILES: O=c1nc(O)c(Br)cn1[C@H]1C[C@H](O)[C@@H](CO)O1

SELFIES: [O][=C][N][=C][Branch1][C][O][C][Branch1][C][Br][=C][N][Ring1][Branch2][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2]

InChI: InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

Molecular Properties:
- Polar Surface Area: 99.1 Ų
- LogP: -0.3